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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C20H21N3OS/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/h1-6,8-11H,7,12-13,15-16H2,(H,22,24,25)