333015
  -OEChem-05231303002D

 43 46  0     0  0  0  0  0  0999 V2000
    2.0000   -3.1520    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3080    1.0454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851   -3.9567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5649    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0512    0.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388   -2.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -3.9610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6389    0.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479   -0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5878   -2.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388   -3.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851   -2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2788   -1.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9771    1.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -4.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6681    2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3154    3.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6244    2.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3373    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9845    4.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6777   -1.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6723   -1.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887   -3.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -4.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    0.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0617    2.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0324    0.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2309    2.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1457    4.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -4.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4453    3.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3994    4.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238    4.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  1  0  0  0  0
  3 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 15  2  3  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 25  1  0  0  0  0
 18 32  1  0  0  0  0
 19 26  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 28  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
333015

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sABkAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAWAAAB9AAAHAYYQAAADArFXiS/kZcOGAqkAzRnZHDC8L1xH7hJ2Dw4dpiIaOLBmxGUIAhogALIyCcQgIAOFAAAAAAAAAAoAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]-4-methyl-benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]methylideneamino]-4-methylbenzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-methylbenzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4-methyl-benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]-4-methyl-benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15ClN4O2S2/c1-13-2-8-16(9-3-13)28(25,26)23-21-12-17-18(14-4-6-15(20)7-5-14)22-19-24(17)10-11-27-19/h2-12,23H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KDKDTEQJJWTRHM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
430.032495

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15ClN4O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
430.931

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
430.032495

> <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>
10  11  8
13  18  8
13  19  8
14  17  8
16  20  8
16  21  8
18  25  8
19  26  8
20  23  8
21  24  8
22  23  8
22  24  8
25  27  8
26  27  8
3  12  8
3  17  8
6  10  8
6  12  8
6  14  8
7  11  8
7  12  8
9  15  1

$$$$