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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]cyclopropanecarboxamide Formula: C15H17N3OS MolecularWeight: 287.37998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1CC1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C15H17N3OS/c16-9-4-10-18(11-12-5-2-1-3-6-12)15(20)17-14(19)13-7-8-13/h1-3,5-6,13H,4,7-8,10-11H2,(H,17,19,20)