6324568
  -OEChem-05092413142D

 41 44  0     0  0  0  0  0  0999 V2000
    6.7860    0.6775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983   -2.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -2.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024    0.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643   -0.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -0.9933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323    0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983    0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323   -0.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643    0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2024   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983   -1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5822    1.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4803    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3743    0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3823    1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024   -1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4764    3.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5934   -1.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0417    2.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012   -0.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    0.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -0.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198   -0.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9205    2.2291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -2.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124   -2.3963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -1.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0964    3.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4740    4.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930   -1.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -3.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9308   -4.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6324568

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
543

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAASJAAAA8QAAAAAAAAFix8AAAHgQQAAAADAzh2AYyxYPABEiMAq1S0ACDCIAlKhBIiBmObMgOJjLktbuHOSjk1hH46YeYm8KeCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-furylmethyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-<I>N</I>,8-dimethyl-4-oxo-5<I>H</I>-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(furan-2-ylmethyl)-N,8-dimethyl-4-oxidanylidene-5H-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-furfuryl)-4-keto-N,8-dimethyl-5H-thieno[3,2-c]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16N2O3S/c1-11-5-6-15-13(8-11)17-14(18(22)20-15)9-16(25-17)19(23)21(2)10-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
WTWMZKNQPQDAHM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
352.08816355

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
352.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)CC4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)NC(=O)C3=C2SC(=C3)C(=O)N(C)CC4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
90.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.08816355

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  11  8
1  7  8
10  16  8
11  12  8
14  15  8
15  19  8
16  19  8
20  23  8
23  24  8
24  25  8
3  20  8
3  25  8
5  10  8
5  13  8
7  8  8
7  9  8
8  10  8
8  14  8
9  12  8
9  13  8

$$$$