24203553
  -OEChem-05112422212D

 45 47  0     0  0  0  0  0  0999 V2000
    4.6456    0.1740    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.7832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    0.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    1.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4903    2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    3.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    2.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7355    2.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    3.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1197    3.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    3.0597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6068    4.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926    4.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740    4.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737    2.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1437    0.9507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8259    3.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0960    2.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4370    3.7412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.7293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  2  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24203553

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
518

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQAAAAADAzB2AYzxoMABAioAiVSdACCGAFgIhAJiAAObMgMJiKEuZuEMCBkxhGI6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-5-[(4-methoxyphenyl)methylene]-2-phenylimino-3-propyl-thiazolidin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-4-thiazolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_NAME>
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-5-p-anisylidene-2-phenylimino-3-propyl-thiazolidin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O2S/c1-3-13-22-19(23)18(14-15-9-11-17(24-2)12-10-15)25-20(22)21-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3/b18-14-,21-20?

> <PUBCHEM_IUPAC_INCHIKEY>
HBQHAILOQMPYCD-DOZOSFQVSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
352.12454906

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
352.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C(=O)C(=CC2=CC=C(C=C2)OC)SC1=NC3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C(=O)/C(=C/C2=CC=C(C=C2)OC)/SC1=NC3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
67.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.12454906

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
13  15  8
13  16  8
14  20  8
14  21  8
15  17  8
16  18  8
17  19  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$