2-(2-phenylethanoylcarbamothioylamino)benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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