60323308
  -OEChem-05132408472D

 44 47  0     0  0  0  0  0  0999 V2000
    5.3717    0.8944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595    3.6056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.1934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    0.8944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    1.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2685    2.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    3.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7685    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -0.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -2.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -1.1988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -2.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -3.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -4.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -2.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -4.8134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368   -4.7303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -4.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3568   -3.6564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -1.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3163    2.3471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6330    2.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    3.7972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7685    4.8134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  3 22  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 40  1  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60323308

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAAAB8AAAHgQQAAAADAzl3gaz1ZPIFEisA61y9ASC+KlnKjkJiDW+bNiOJrrk/buHOajswRPY6eeY2UOeCAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(2-furyl)thiazol-2-yl]-5-methyl-2-pyrrolidin-1-yl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(2-furanyl)-2-thiazolyl]-5-methyl-2-(1-pyrrolidinyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyrrolidin-1-ylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyrrolidin-1-ylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methyl-2-pyrrolidin-1-yl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(2-furyl)thiazol-2-yl]-5-methyl-2-pyrrolidino-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O2S/c1-13-6-7-16(22-8-2-3-9-22)14(11-13)18(23)21-19-20-15(12-25-19)17-5-4-10-24-17/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
WYOANRYZVKLHCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
353.11979803

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
353.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC(=CS3)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)N2CCCC2)C(=O)NC3=NC(=CS3)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
86.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.11979803

> <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  19  8
1  21  8
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
20  21  8
22  23  8
23  24  8
24  25  8
3  22  8
3  25  8
6  19  8
6  20  8

$$$$