9467986
  -OEChem-04262411322D

 44 47  0     0  0  0  0  0  0999 V2000
    9.8241    0.7178    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0347   -1.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486    1.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    2.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    2.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4511   -2.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9932   -0.8914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296   -0.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    1.1562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5049   -0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5049   -1.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4511   -0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6388   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7728   -0.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0347   -1.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6388   -2.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7728   -1.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8023    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3241   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7418    0.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    1.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9885   -0.3707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2001   -0.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6388    0.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6437   -2.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6388   -3.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2359   -2.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    0.1799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9182   -0.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    1.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9886    1.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    0.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0774   -0.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128    0.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    0.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438    0.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 15  2  0  0  0  0
  3 23  2  0  0  0  0
  4 25  1  0  0  0  0
  4 28  1  0  0  0  0
  5 24  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 32  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 40  1  0  0  0  0
  9 20  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9467986

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
619

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB8AAAHgQQAAAADAzl3gax1ZLIFEisA61y9AKC+KllKjkJiLX+bNiOJrrk/b+HOSjs1xPY6aecn8KOCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-oxo-3-[[4-(2-oxoindolin-5-yl)thiazol-2-yl]amino]propyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-oxo-3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-2-thiazolyl]amino]propyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-oxo-3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]propyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[3-oxo-3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]propyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-oxidanylidene-3-[[4-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]propyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-keto-3-[[4-(2-ketoindolin-5-yl)thiazol-2-yl]amino]propyl]-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16N4O4S/c24-16(5-6-20-18(26)15-2-1-7-27-15)23-19-22-14(10-28-19)11-3-4-13-12(8-11)9-17(25)21-13/h1-4,7-8,10H,5-6,9H2,(H,20,26)(H,21,25)(H,22,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
QLRHGEZVKBVRFO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
396.08922618

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16N4O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
396.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=C(C=CC(=C2)C3=CSC(=N3)NC(=O)CCNC(=O)C4=CC=CO4)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=C(C=CC(=C2)C3=CSC(=N3)NC(=O)CCNC(=O)C4=CC=CO4)NC1=O

> <PUBCHEM_CACTVS_TPSA>
142

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.08922618

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  21  8
1  22  8
10  11  8
10  13  8
11  16  8
13  14  8
14  17  8
16  17  8
18  21  8
25  26  8
26  27  8
27  28  8
4  25  8
4  28  8
7  18  8
7  22  8

$$$$