N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-cyclohexyl-N-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)acetamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-cyclohexyl-N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)acetamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-cyclohexyl-N-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)acetamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3S/c1-2-3-10-21-16-15-20(18-29)27(30-21)36-19-26(34)31(22-11-6-4-7-12-22)24-17-25(33)32(28(24)35)23-13-8-5-9-14-23/h5,8-9,13-16,22,24H,2-4,6-7,10-12,17,19H2,1H3