N-[(3-cyanophenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H13N3O2S/c1-21-14-7-5-12(6-8-14)15(20)19-16(22)18-13-4-2-3-11(9-13)10-17/h2-9H,1H3,(H2,18,19,20,22)