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

Systemtic Name: 5-[(Z)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-dimethyl-2-oxo-6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-5-[(Z)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-nicotinonitrile Formula: C29H35N5O2S2 MolecularWeight: 549.7505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)CC4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C29H35N5O2S2/c1-4-5-6-10-13-34-28(36)25(38-29(34)37)18-23-21(2)24(19-30)27(35)31(3)26(23)33-16-14-32(15-17-33)20-22-11-8-7-9-12-22/h7-9,11-12,18H,4-6,10,13-17,20H2,1-3H3/b25-18-