1232910
  -OEChem-05062414522D

 47 50  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
    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
    3.5000   -2.1791    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
    2.5000   -3.9111    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
    4.0000   -3.0451    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
    2.0000   -3.0451    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   -4.7772    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
    2.1900   -1.6421    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
    1.3800   -3.0451    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
    1.4631   -4.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 25  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 20  1  0  0  0  0
  7 25  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 26  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  2  0  0  0  0
 24 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1232910

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
662

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAQAAABQAAAHgQQAAAADAzh2AYzxoPABAioAiVSdAKCGAFhIhAJiABObMgOZiLEuZ+XOCjk1hHY6YeQwAAOKAAAAAAAAABQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H19N3O3S/c1-14-2-6-16(7-3-14)23-19(25)13-27-17-8-4-15(5-9-17)12-18-20(26)24-11-10-22-21(24)28-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ZHQSYZQOEHFYNV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
393.11471265

> <PUBCHEM_MOLECULAR_FORMULA>
C21H19N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
393.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N4CCN=C4S3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N4CCN=C4S3

> <PUBCHEM_CACTVS_TPSA>
96.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.11471265

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  12  8
11  12  8
12  13  1
14  15  8
14  16  8
15  18  8
16  19  8
17  18  8
17  19  8
20  23  8
20  24  8
22  26  8
22  27  8
23  26  8
24  27  8
5  10  8
5  11  8

$$$$