3-(1-phenylethylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(1-phenylethylcarbamothioylamino)benzoic acid Openeye Name: 3-(1-phenylethylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(1-phenylethylcarbamothioylamino)benzoic acid Traditional Name: 3-(1-phenylethylthiocarbamoylamino)benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-11(12-6-3-2-4-7-12)17-16(21)18-14-9-5-8-13(10-14)15(19)20/h2-11H,1H3,(H,19,20)(H2,17,18,21)