31966303
  -OEChem-05042400312D

 37 39  0     0  0  0  0  0  0999 V2000
    7.9128    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -0.3406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -2.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  2  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 24  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31966303

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABEAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgYQAAAADAqF2CCwwYLAAAiMAiVSUACDAIAlDxBIiBkAdsgIYDLhl5GUIQhglADoyYcYiACOBAAAAAAAACAIAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[(4-chlorobenzoyl)amino]phenyl]thiophene-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-3-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[(4-chlorobenzoyl)amino]phenyl]thiophene-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[(4-chlorobenzoyl)amino]phenyl]thiophene-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[(4-chlorophenyl)carbonylamino]phenyl]thiophene-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(4-chlorobenzoyl)amino]phenyl]thiophene-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13ClN2O2S/c19-14-7-5-12(6-8-14)17(22)20-15-3-1-2-4-16(15)21-18(23)13-9-10-24-11-13/h1-11H,(H,20,22)(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
WVZAPGWVFXRDTD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
356.0386265

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13ClN2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
356.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CSC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CSC=C3

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.0386265

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  14  8
11  17  8
11  18  8
13  14  8
16  19  8
16  22  8
17  20  8
18  21  8
19  24  8
2  22  8
2  24  8
20  23  8
21  23  8
7  8  8
7  9  8
8  10  8
9  13  8

$$$$