28376856
  -OEChem-05042412172D

 58 61  0     0  0  0  0  0  0999 V2000
    4.6456   -1.0918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    5.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    0.9786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4526    3.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    0.5174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.4532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404    3.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581    3.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    2.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    4.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    1.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105   -1.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282   -2.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172   -2.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5349   -3.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5295   -3.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    2.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4711    3.5995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009    3.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290    3.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3734    4.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2900    5.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1197    2.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    1.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563    5.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4396    4.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8288    5.9568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    6.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7355    1.0842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    1.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749   -0.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -2.1109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338   -2.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -3.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816   -3.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  2  0  0  0  0
  4 27  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  3  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  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 47  1  0  0  0  0
 22 26  2  0  0  0  0
 22 48  1  0  0  0  0
 23 28  1  0  0  0  0
 23 49  1  0  0  0  0
 24 29  2  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 28 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
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 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
28376856

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
649

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHgQAAAAADAzh2AYzxoMABAioAiVSdACCGAFgIhAJiAAObMgOJiKE+ZuHMCBkxhGY6YeQwAAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(4-methoxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H27N3O3S/c1-29-21-10-8-19(9-11-21)18-22-23(28)27(13-5-12-26-14-16-30-17-15-26)24(31-22)25-20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FIOYQXGHBGYYGT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
437.17731291

> <PUBCHEM_MOLECULAR_FORMULA>
C24H27N3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
437.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCN4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCN4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
79.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
437.17731291

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
17  18  1
19  21  8
19  22  8
20  23  8
20  24  8
21  25  8
22  26  8
23  28  8
24  29  8
25  27  8
26  27  8
28  30  8
29  30  8

$$$$