methyl 4-[(2-phenylazanyl-2-sulfanylidene-ethanoyl)amino]benzoate

Systemtic Name: methyl 4-[(2-phenylazanyl-2-sulfanylidene-ethanoyl)amino]benzoate Openeye Name: methyl 4-[(2-anilino-2-thioxo-acetyl)amino]benzoate CAS Name: 4-[(2-anilino-1-oxo-2-sulfanylideneethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-anilino-2-sulfanylideneacetyl)amino]benzoate Traditional Name: 4-[(2-anilino-2-thioxo-acetyl)amino]benzoic acid methyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3S/c1-21-16(20)11-7-9-13(10-8-11)17-14(19)15(22)18-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H,18,22)