N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-methyl-butyramide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C16H21N3OS/c1-13(2)11-15(20)18-16(21)19(10-6-9-17)12-14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3,(H,18,20,21)