3-[(4-ethanoylphenyl)carbamothioylamino]benzoate

Systemtic Name: 3-[(4-ethanoylphenyl)carbamothioylamino]benzoate Openeye Name: 3-[(4-acetylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(4-acetylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-acetylphenyl)thiocarbamoylamino]benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-10(19)11-5-7-13(8-6-11)17-16(22)18-14-4-2-3-12(9-14)15(20)21/h2-9H,1H3,(H,20,21)(H2,17,18,22)/p-1