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

Systemtic Name: N-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide Traditional Name: N-benzyl-2-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)butyramide Formula: C33H28N4O3S MolecularWeight: 560.66542

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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)C5=CC=CC=C5)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)C5=CC=CC=C5)C#N

InChI

InChI=1S/C33H28N4O3S/c1-2-29(41-31-25(21-34)18-19-27(35-31)24-14-8-4-9-15-24)33(40)36(22-23-12-6-3-7-13-23)28-20-30(38)37(32(28)39)26-16-10-5-11-17-26/h3-19,28-29H,2,20,22H2,1H3