methyl 3-[(2-cyanophenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(2-cyanophenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(2-cyanophenyl)carbamothioylamino]benzoate CAS Name: 3-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-cyanophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-cyanophenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC=C2C#N

InChI

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