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

Systemtic Name: methyl 2-[(3-ethanoylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]benzoate CAS Name: 2-[[(3-acetylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-acetylphenyl)carbamothioylamino]benzoate Traditional Name: 2-[(3-acetylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H16N2O3S/c1-11(20)12-6-5-7-13(10-12)18-17(23)19-15-9-4-3-8-14(15)16(21)22-2/h3-10H,1-2H3,(H2,18,19,23)