N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3OS/c25-16-7-17-27(18-19-8-3-1-4-9-19)24(29)26-23(28)22-14-12-21(13-15-22)20-10-5-2-6-11-20/h1-6,8-15H,7,17-18H2,(H,26,28,29)