56692483
  -OEChem-04252409522D

 44 47  0     0  0  0  0  0  0999 V2000
   10.0878    2.2081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7772    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    3.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851    2.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851    3.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5687    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878    3.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    4.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7340    4.3887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    2.6024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    3.4318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    3.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    2.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -0.1179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    0.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174   -0.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.7761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -4.4481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 23  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  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 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56692483

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
668

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQBAAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAQAAABQAAAHwQQAAAADAzh2A4xxoPABAioAiVSdAKCGAFhIhAJiABObMgOZiLEuZ+XOCjk1hHY6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-fluorophenyl)-2-[4-[(<I>Z</I>)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxidanylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-fluorophenyl)-2-[4-[(Z)-(3-keto-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16FN3O3S/c21-14-3-5-15(6-4-14)23-18(25)12-27-16-7-1-13(2-8-16)11-17-19(26)24-10-9-22-20(24)28-17/h1-8,11H,9-10,12H2,(H,23,25)/b17-11-

> <PUBCHEM_IUPAC_INCHIKEY>
JOBUKKLYZALOPJ-BOPFTXTBSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
397.08964072

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16FN3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
397.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)F)SC2=N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)F)/SC2=N1

> <PUBCHEM_CACTVS_TPSA>
96.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.08964072

> <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>
1

> <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  13  8
12  13  8
15  16  8
15  17  8
16  19  8
17  20  8
18  19  8
18  20  8
22  24  8
22  25  8
24  26  8
25  27  8
26  28  8
27  28  8
6  11  8
6  12  8

$$$$