N-(2-cyano-3-methyl-butan-2-yl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-(benzylthio)-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2OS/c1-12(2)16(4,11-17)18-15(19)13(3)20-10-14-8-6-5-7-9-14/h5-9,12-13H,10H2,1-4H3,(H,18,19)