53377418
  -OEChem-05201302312D

 38 41  0     0  0  0  0  0  0999 V2000
    6.9535    3.8680    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.7465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -3.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -3.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.5934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -3.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -1.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    0.7388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    2.0236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 13  2  0  0  0  0
  4 22  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53377418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
599

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABEAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgYQAAAADAqB2CAwwYLAAAisAyVyVACDAIAlDxBIiBkgdtgIYLLhl5GUIQhglADoyYcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H12ClN3O2S/c20-16-10-9-15(26-16)18(24)22-12-6-2-1-5-11(12)17-19(25)23-14-8-4-3-7-13(14)21-17/h1-10H,(H,22,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
SILDFGYFAMVRIF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
381.033875

> <PUBCHEM_MOLECULAR_FORMULA>
C19H12ClN3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
381.83548

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=C(S4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=C(S4)Cl

> <PUBCHEM_CACTVS_TPSA>
98.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.033875

> <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>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  12  8
11  16  8
12  17  8
14  18  8
15  19  8
16  20  8
17  21  8
18  19  8
2  23  8
2  26  8
20  21  8
23  24  8
24  25  8
25  26  8
5  11  8
5  13  8
6  12  8
6  9  8
8  10  8
8  14  8
9  13  8

$$$$