1084673
  -OEChem-05102407172D

 39 43  0     0  0  0  0  0  0999 V2000
    2.6691    0.5969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8590    0.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8590   -0.8011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6097   -1.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4144   -0.2056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4426    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9426   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4426    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9426    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426    0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5175   -1.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516    1.3977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6326   -1.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6326    1.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -0.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2526    1.4066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4819   -2.2061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0544   -1.5043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    2.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.7725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.2752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 26  1  0  0  0  0
  2 22  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  6 35  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  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
 26 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1084673

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
534

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oABAAAAAAAAAAAAAAAAAAWLEgAAwYAAAAAAAAFgB/gAAHgQQAAAADAiF3wS10bbJkAisAydzdACDgK21GrBJ2bk4dNiIaLLg3dGUJQholALoyacYgAAOCACAQAQAACAQAQCACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3<I>H</I>-benzimidazol-5-yl)-3<I>H</I>-benzimidazol-5-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H13N5OS/c25-19(17-2-1-7-26-17)22-12-4-6-14-16(9-12)24-18(23-14)11-3-5-13-15(8-11)21-10-20-13/h1-10H,(H,20,21)(H,22,25)(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
VQFBPARQWNHQHE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
359.08408123

> <PUBCHEM_MOLECULAR_FORMULA>
C19H13N5OS

> <PUBCHEM_MOLECULAR_WEIGHT>
359.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=CN5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=CN5

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
359.08408123

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  23  8
1  26  8
10  14  8
10  18  8
11  17  8
12  15  8
13  14  8
13  16  8
15  19  8
16  20  8
17  19  8
18  20  8
23  24  8
24  25  8
25  26  8
3  8  8
3  9  8
4  11  8
4  9  8
5  13  8
5  21  8
7  16  8
7  21  8
8  11  8
8  12  8

$$$$