3-(2-phenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 3-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c19-14(9-11-5-2-1-3-6-11)18-16(22)17-13-8-4-7-12(10-13)15(20)21/h1-8,10H,9H2,(H,20,21)(H2,17,18,19,22)