4-(2-phenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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