N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)butanamide CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide Traditional Name: N-benzyl-2-[(3-cyano-6-methyl-2-pyridyl)thio]-N-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)butyramide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=CC=C3)SC4=C(C=CC(=N4)C)C#N

Isomeric SMILES

CCC(C(=O)N(CC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=CC=C3)SC4=C(C=CC(=N4)C)C#N

InChI

InChI=1S/C28H26N4O3S/c1-3-24(36-26-21(17-29)15-14-19(2)30-26)28(35)31(18-20-10-6-4-7-11-20)23-16-25(33)32(27(23)34)22-12-8-5-9-13-22/h4-15,23-24H,3,16,18H2,1-2H3