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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]propanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]propanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]propanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]propionamide Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-2-13(18)16-14(19)17(10-6-9-15)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,10-11H2,1H3,(H,16,18,19)