53346520
  -OEChem-05112416242D

 44 46  0     0  0  0  0  0  0999 V2000
    4.1701   -4.9715    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -1.5264    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8903   -1.3649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3515    0.3564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730    0.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1116   -2.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730    1.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -1.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    1.9715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    0.9715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390   -0.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    2.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684   -2.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    3.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    3.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903   -2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    2.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594   -0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    3.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    1.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -3.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    4.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -4.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -2.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5511   -1.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9496   -0.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7420    0.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    3.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021    3.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6271    1.4346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4740    1.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2471    2.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480   -3.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250    4.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    5.5915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5850    4.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -4.8334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -3.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  2  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7 18  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 15 24  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  2  0  0  0  0
 18 20  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53346520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
846

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABmAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAAABAAAAHgYYAAAADArB2CQyAINiAAiMAiVSUACCAABgBxgaqACIAsgIYCKBEzCQIAAglgCIiYcAgAAOAAAAAACBAAAAAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(5Z)-5-[(2,6-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(2,4-dimethyl-6-oxo-1-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(5<I>Z</I>)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-<I>N</I>-(2,4-dimethyl-6-oxopyridin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2,4-dimethyl-6-oxopyridin-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(5Z)-5-[[2,6-bis(chloranyl)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2,4-dimethyl-6-oxidanylidene-pyridin-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(5Z)-5-(2,6-dichlorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-N-(2-keto-4,6-dimethyl-1-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15Cl2N3O3S2/c1-10-6-11(2)24(17(26)7-10)22-16(25)9-23-18(27)15(29-19(23)28)8-12-13(20)4-3-5-14(12)21/h3-8H,9H2,1-2H3,(H,22,25)/b15-8-

> <PUBCHEM_IUPAC_INCHIKEY>
DOFDUIOZIXLNCA-NVNXTCNLSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
466.9931891

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15Cl2N3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
468.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=O)N(C(=C1)C)NC(=O)CN2C(=O)C(=CC3=C(C=CC=C3Cl)Cl)SC2=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=O)N(C(=C1)C)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=S

> <PUBCHEM_CACTVS_TPSA>
127

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
466.9931891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
12  16  8
15  16  8
15  20  8
18  20  8
23  25  8
23  26  8
25  27  8
26  28  8
27  29  8
28  29  8
9  12  8
9  18  8

$$$$