N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]pentanamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]pentanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]pentanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]pentanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]valeramide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-2-3-10-15(20)18-16(21)19(12-7-11-17)13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10,12-13H2,1H3,(H,18,20,21)