23963101
  -OEChem-04242421022D

 44 47  0     0  0  0  0  0  0999 V2000
   10.0878    1.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -2.6121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    3.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851    1.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.7461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9851    3.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5687    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0388    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878    3.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5224    3.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7340    3.9557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    2.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    2.9988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    3.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    2.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -0.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077   -0.2695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174   -0.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -1.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.0752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -3.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -4.8811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -4.8811    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 20  1  0  0  0  0
  4 21  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 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  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
 11 12  1  0  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 13 32  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 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  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 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23963101

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAQAAABQAAAHgQQAAAADAzh2AYxxoPABAioAiVSdAKCGAFhIhAJiABObMgOZiLEuZ+XOCjk1hHY6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17N3O3S/c24-18(22-15-4-2-1-3-5-15)13-26-16-8-6-14(7-9-16)12-17-19(25)23-11-10-21-20(23)27-17/h1-9,12H,10-11,13H2,(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ILRXCHOOWDVCFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
379.09906259

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
379.4

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

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

> <PUBCHEM_CACTVS_TPSA>
96.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.09906259

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
5  10  8
5  11  8

$$$$