N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C20H27N3OS MolecularWeight: 357.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3OS/c21-14-7-15-23(16-18-10-5-2-6-11-18)20(25)22-19(24)13-12-17-8-3-1-4-9-17/h2,5-6,10-11,17H,1,3-4,7-9,12-13,15-16H2,(H,22,24,25)