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

Systemtic Name: 6-(azepan-1-yl)-1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-(azepan-1-yl)-5-[(3-isopentyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 6-(1-azepanyl)-1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-(azepan-1-yl)-1,4-dimethyl-5-[[3-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-(azepan-1-yl)-5-[(3-isoamyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-nicotinonitrile Formula: C23H30N4O2S2 MolecularWeight: 458.6399

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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)N3CCCCCC3)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCCCCC3)C)C#N

InChI

InChI=1S/C23H30N4O2S2/c1-15(2)9-12-27-22(29)19(31-23(27)30)13-17-16(3)18(14-24)21(28)25(4)20(17)26-10-7-5-6-8-11-26/h13,15H,5-12H2,1-4H3