4-[(4-ethanoylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(4-ethanoylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(4-acetylphenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(4-acetylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-acetylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(4-acetylphenyl)thiocarbamoylamino]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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