1472640
  -OEChem-04182404062D

 46 48  0     0  0  0  0  0  0999 V2000
    7.4128    1.9685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585    4.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    0.3593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951    1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4896    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884    2.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    1.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0774    2.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6762    3.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2530    4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    0.4019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4646    0.7261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.3416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7418    1.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    2.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6940    2.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240    4.0959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.2709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1882    3.5128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8696    4.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3178    4.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  3 26  1  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 31  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 22  2  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1472640

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgQQAAAADAzF3gayh5LIFAisAyVyVACC+KBnKjgIiJW+LMgMZiKksTuUMChmxhGoqIeQwKAOIAAAAAAIAABAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]thiazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-4-thiazolecarboxamide

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-o-anisyl-2-p-anisyl-thiazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O3S/c1-24-16-9-7-14(8-10-16)11-19-22-17(13-26-19)20(23)21-12-15-5-3-4-6-18(15)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
QMVKRKQZFLJMBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
368.11946368

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
368.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCC3=CC=CC=C3OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CC2=NC(=CS2)C(=O)NCC3=CC=CC=C3OC

> <PUBCHEM_CACTVS_TPSA>
88.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.11946368

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  11  8
1  18  8
10  13  8
10  17  8
12  18  8
13  22  8
14  19  8
15  20  8
17  23  8
19  21  8
20  21  8
22  24  8
23  24  8
6  11  8
6  12  8
8  14  8
8  15  8

$$$$