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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]ethanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]acetamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]acetamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]acetamide Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS/c1-11(17)15-13(18)16(9-5-8-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,9-10H2,1H3,(H,15,17,18)