N-[1-(4-acetamidophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: N-[1-(4-acetamidophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-cyclohexyl-ethanamide Openeye Name: N-[1-(4-acetamidophenyl)-2,5-dioxo-pyrrolidin-3-yl]-2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-[1-(4-acetamidophenyl)-2,5-dioxo-3-pyrrolidinyl]-2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-cyclohexylacetamide IUPAC Name: N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-cyclohexylacetamide Traditional Name: N-[1-(4-acetamidophenyl)-2,5-diketo-pyrrolidin-3-yl]-2-[(3-cyano-6-methyl-2-pyridyl)thio]-N-cyclohexyl-acetamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)N(C2CCCCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H29N5O4S/c1-17-8-9-19(15-28)26(29-17)37-16-25(35)31(21-6-4-3-5-7-21)23-14-24(34)32(27(23)36)22-12-10-20(11-13-22)30-18(2)33/h8-13,21,23H,3-7,14,16H2,1-2H3,(H,30,33)