60264942
  -OEChem-05042414242D

 51 52  0     0  0  0  0  0  0999 V2000
    7.9128    2.6239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    3.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    4.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    1.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    4.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318    5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.1798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2181   -0.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -0.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -1.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2029    4.3387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726    1.2743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8789    3.8914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4307    4.5728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7492    5.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    5.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8673    5.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7302    4.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -5.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -4.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 34  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 35  1  0  0  0  0
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 13 36  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60264942

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQAAAADwzF3gayh5LIFAisAyVyVACC+KBnKjgIiJW+rMgNZiKksTuUMCokxhGqqIeQ0PIPoAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-4-thiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-isopropyl-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26N2O3S/c1-12(2)18-21-14(10-25-18)17(22)20-11-19(3,4)13-7-8-15(23-5)16(9-13)24-6/h7-10,12H,11H2,1-6H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
BPHYNYFYOMQGNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
362.16641387

> <PUBCHEM_MOLECULAR_FORMULA>
C19H26N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
362.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=NC(=CS1)C(=O)NCC(C)(C)C2=CC(=C(C=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=NC(=CS1)C(=O)NCC(C)(C)C2=CC(=C(C=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
88.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.16641387

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  20  8
1  21  8
12  14  8
13  15  8
14  16  8
15  16  8
18  21  8
6  18  8
6  20  8
9  12  8
9  13  8

$$$$