9324132
  -OEChem-04232417242D

 43 45  0     0  0  0  0  0  0999 V2000
    2.6691   -1.6567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2500    0.0000 N   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
    6.1808   -1.7500    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
    7.9128   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.2500    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
    8.7788    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -3.2500    0.0000 C   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
    8.7788    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.7500    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
    3.5827   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4688   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0888   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9548    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    0.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9324132

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgQQAAAADAiF2ACywYLAAAiMAiVSUACDAIAlChBIiBkAdMgIYDLglZGUIQhglADoyYcYiICOiAAAQAAQACAQAACAACAAQAAAAAAAAA==

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

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

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

> <PUBCHEM_IUPAC_NAME>
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-methyl-2-(o-toluoylamino)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18N2O2S/c1-13-9-10-16(21-20(24)18-8-5-11-25-18)17(12-13)22-19(23)15-7-4-3-6-14(15)2/h3-12H,1-2H3,(H,21,24)(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
HXBMWDNXMNTYLW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
350.10889899

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
350.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3C

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.10889899

> <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  22  8
1  25  8
10  14  8
10  16  8
11  12  8
14  17  8
16  20  8
17  21  8
20  21  8
22  23  8
23  24  8
24  25  8
6  7  8
6  9  8
7  11  8
8  12  8
8  9  8

$$$$