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

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-cyclohexyl-N-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)acetamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-cyclohexyl-N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)acetamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-cyclohexyl-N-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)acetamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3S/c1-2-9-20-15-14-19(17-28)26(29-20)35-18-25(33)30(21-10-5-3-6-11-21)23-16-24(32)31(27(23)34)22-12-7-4-8-13-22/h4,7-8,12-15,21,23H,2-3,5-6,9-11,16,18H2,1H3