1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-[4-oxo-3-(p-tolylmethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-oxo-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-5-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-2-keto-5-[(Z)-[4-keto-3-(4-methylbenzyl)-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-nicotinonitrile Formula: C31H31N5O2S2 MolecularWeight: 569.74014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N(C(=O)C(=C3C)C#N)C)N4CCN(CC4)CC5=CC=CC=C5)SC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N(C(=O)C(=C3C)C#N)C)N4CCN(CC4)CC5=CC=CC=C5)/SC2=S

InChI

InChI=1S/C31H31N5O2S2/c1-21-9-11-24(12-10-21)20-36-30(38)27(40-31(36)39)17-25-22(2)26(18-32)29(37)33(3)28(25)35-15-13-34(14-16-35)19-23-7-5-4-6-8-23/h4-12,17H,13-16,19-20H2,1-3H3/b27-17-