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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)N(CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)N(CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O3S/c1-2-9-22-15-14-21(17-29)27(30-22)36-19-26(34)31(18-20-10-5-3-6-11-20)24-16-25(33)32(28(24)35)23-12-7-4-8-13-23/h3-8,10-15,24H,2,9,16,18-19H2,1H3