31970307
  -OEChem-04242400192D

 40 42  0     0  0  0  0  0  0999 V2000
    2.0000    0.4806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1192    2.0684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7926    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4967    1.1697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2779    1.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8799    2.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31970307

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
482

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABEAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgYQAAAADAqF2CCywYLAAAiMAiVSUACDAIAlDxBIiBkAdsgIYDLhl5GUIQhglADoyYcYiACOBAAAAAAAACAIAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15ClN2O2S/c1-12-10-11-25-17(12)19(24)22-16-5-3-2-4-15(16)21-18(23)13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23)(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
NNGMZFQMUZHPOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
370.0542766

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15ClN2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
370.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(SC=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(SC=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.0542766

> <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>
10  18  8
11  15  8
12  17  8
15  17  8
16  21  8
16  22  8
18  20  8
2  20  8
2  9  8
21  23  8
22  24  8
23  25  8
24  25  8
7  11  8
7  8  8
8  12  8
9  10  8

$$$$