1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-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-(3-methylbutyl)-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)-5-[(Z)-(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-5-[(Z)-[3-(3-methylbutyl)-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-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-(4-benzylpiperazino)-5-[(Z)-(3-isoamyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-nicotinonitrile Formula: C28H33N5O2S2 MolecularWeight: 535.72392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1/C=C\2/C(=O)N(C(=S)S2)CCC(C)C)N3CCN(CC3)CC4=CC=CC=C4)C)C#N

InChI

InChI=1S/C28H33N5O2S2/c1-19(2)10-11-33-27(35)24(37-28(33)36)16-22-20(3)23(17-29)26(34)30(4)25(22)32-14-12-31(13-15-32)18-21-8-6-5-7-9-21/h5-9,16,19H,10-15,18H2,1-4H3/b24-16-