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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]hexanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]hexanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]hexanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]hexanamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-2-3-5-11-16(21)19-17(22)20(13-8-12-18)14-15-9-6-4-7-10-15/h4,6-7,9-10H,2-3,5,8,11,13-14H2,1H3,(H,19,21,22)