N-[(3-cyanophenyl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H13N3OS/c17-11-13-7-4-8-14(9-13)18-16(21)19-15(20)10-12-5-2-1-3-6-12/h1-9H,10H2,(H2,18,19,20,21)