1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-[(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-6-(4-methyl-1-piperazinyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-[(3-isoamyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-methylpiperazino)nicotinonitrile Formula: C22H29N5O2S2 MolecularWeight: 459.62796

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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)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S2/c1-14(2)6-7-27-21(29)18(31-22(27)30)12-16-15(3)17(13-23)20(28)25(5)19(16)26-10-8-24(4)9-11-26/h12,14H,6-11H2,1-5H3