4-[(3-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-(m-toluoylthiocarbamoylamino)benzoic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

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