69575456
  -OEChem-05132411142D

 63 66  0     1  0  0  0  0  0999 V2000
    6.2916    1.8626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063    1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742   -3.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063   -4.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    0.0262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7697    2.5207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3859   -0.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0550    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5550    1.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063   -0.4738    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6063   -1.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403   -1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723   -1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403   -2.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723   -2.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063   -3.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9607    1.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0082   -2.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848    3.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723   -4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    3.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    2.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    4.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5048   -0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0759   -0.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874   -0.7450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5120    1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9568    1.0207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4698   -0.0982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5566    0.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    1.4808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3634    1.8183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063    0.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2033   -0.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2033   -1.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0092   -1.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0092   -3.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8318    0.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182   -2.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4713   -2.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982   -3.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9864    3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3416    4.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1623   -5.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0092   -5.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7823   -4.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    2.3713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480    5.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436    2.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369    5.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    5.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478    5.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    4.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 17  2  0  0  0  0
  3 18  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 44  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  2  0  0  0  0
 16 46  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 21 22  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69575456

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
609

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAeIAAAAwYAAAAAAAAAAB0AAAHgQQAAAADSzF3gayh5LIFAisAyVyVACC+KBnKjgIiJW+rMgNZiKksTuUMCpk1hGqqIew0PMOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]thiazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-4-thiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[cyclopentyl-(3,4-dimethoxyphenyl)methyl]-2-p-anisyl-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H30N2O4S/c1-30-20-11-8-17(9-12-20)14-24-27-21(16-33-24)26(29)28-25(18-6-4-5-7-18)19-10-13-22(31-2)23(15-19)32-3/h8-13,15-16,18,25H,4-7,14H2,1-3H3,(H,28,29)

> <PUBCHEM_IUPAC_INCHIKEY>
XAJBKVIVKBRGCT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
466.19262862

> <PUBCHEM_MOLECULAR_FORMULA>
C26H30N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
466.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC(C3CCCC3)C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NC(C3CCCC3)C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
466.19262862

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  22  8
1  23  8
14  15  8
14  16  8
15  18  8
16  19  8
18  20  8
19  20  8
21  22  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
13  6  3
7  21  8
7  23  8

$$$$