9903786
  -OEChem-05251302272D

 29 30  0     0  0  0  0  0  0999 V2000
    5.2558    0.7784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -3.8094    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    3.4520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    1.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.5385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    3.2430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -0.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    2.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -2.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128   -2.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290    2.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -0.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -0.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    3.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -2.6194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -2.6194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122    1.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    3.1782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8646    3.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  2  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 19  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 17  2  0  0  0  0
 14 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9903786

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
361

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQBAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwQQAAAADACB2AgxgYLAAAiMAiFSUACDAIBlCBlIiBkARMiIIDrg1ZGEIYhghAJoyecYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-fluorophenyl)-2-ureido-thiophene-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(carbamoylamino)-5-(4-fluorophenyl)-3-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME>
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(aminocarbonylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-fluorophenyl)-2-ureido-thiophene-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)

> <PUBCHEM_IUPAC_INCHIKEY>
SAYGKHKXGCPTLX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
279.047776

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10FN3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
279.290103

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F

> <PUBCHEM_CACTVS_TPSA>
126

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.047776

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
12

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  8  8
10  13  8
10  14  8
13  16  8
14  17  8
16  18  8
17  18  8
8  11  8
9  11  8
9  12  8

$$$$