53377414
  -OEChem-04232422072D

 44 48  0     0  0  0  0  0  0999 V2000
    6.3442   -3.2310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846   -2.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    2.8152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.7459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244   -0.7403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -0.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205   -1.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4526   -2.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5406   -1.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8686   -2.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653   -3.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    3.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -1.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -0.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663    1.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -0.5623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140   -1.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -4.0006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 29  1  0  0  0  0
  2 15  2  0  0  0  0
  3 25  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 16  1  0  0  0  0
  6 25  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  2  0  0  0  0
 10 13  1  0  0  0  0
 10 18  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  2  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53377414

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
681

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAADB1AAAHgQQAAAADAiF2ACwwcLAAAisAyVyVACDAIAlChBIiBkgdNgIYLLglZGUIQhglADoyYcciICOiAAAQAASACAQAACAACQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(2-oxo-1<I>H</I>-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(2-oxo-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(2-oxidanylidene-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-keto-1H-benzo[g]quinoxalin-3-yl)phenyl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H15N3O2S/c27-22(20-10-5-11-29-20)25-17-9-4-3-8-16(17)21-23(28)26-19-13-15-7-2-1-6-14(15)12-18(19)24-21/h1-13H,(H,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GTGSDZFHWYEEHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
397.08849790

> <PUBCHEM_MOLECULAR_FORMULA>
C23H15N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
397.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C5=CC=CS5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C5=CC=CS5

> <PUBCHEM_CACTVS_TPSA>
98.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.08849790

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  26  8
1  29  8
10  13  8
10  18  8
11  15  8
14  16  8
14  19  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  22  8
23  24  8
26  27  8
27  28  8
28  29  8
4  15  8
4  7  8
5  11  8
5  8  8
7  12  8
7  8  8
8  13  8
9  10  8
9  12  8
9  17  8

$$$$