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

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c17-10-12-5-4-6-13(9-12)18-16(22)19-15(20)11-21-14-7-2-1-3-8-14/h1-9H,11H2,(H2,18,19,20,22)