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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3OS/c26-17-10-18-28(19-20-11-4-1-5-12-20)25(30)27-24(29)23(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23H,10,18-19H2,(H,27,29,30)