3574736
  -OEChem-06191313322D

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    6.2781   -3.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0405    2.6742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
3574736

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
816

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB9AAAHgQQAAAADAjh3gY/wPPMFAioAzV3dACCkCFxAjAJ2KC4ZNgKYOLAmbGVIAhglgDYyYcQgMAOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-[[2-(2,3-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(2-methoxyethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-[[2-(2,3-dimethylphenyl)imino-3-methyl-4-oxo-5-thiazolidinylidene]methyl]-1-indolyl]-N-(2-methoxyethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[3-[[2-(2,3-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(2-methoxyethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-[[2-(2,3-dimethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(2-methoxyethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-[[2-(2,3-dimethylphenyl)imino-4-keto-3-methyl-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(2-methoxyethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H28N4O3S/c1-17-8-7-10-21(18(17)2)28-26-29(3)25(32)23(34-26)14-19-15-30(16-24(31)27-12-13-33-4)22-11-6-5-9-20(19)22/h5-11,14-15H,12-13,16H2,1-4H3,(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
ZNFAEUVCUVQQSR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
476.188212

> <PUBCHEM_MOLECULAR_FORMULA>
C26H28N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
476.59052

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)N=C2N(C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCCOC)S2)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)N=C2N(C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)NCCOC)S2)C)C

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.188212

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  15  8
11  12  8
14  18  8
15  20  8
16  17  1
18  20  8
24  25  8
24  29  8
25  27  8
27  30  8
29  32  8
30  32  8
5  12  8
5  9  8
9  10  8
9  14  8

$$$$