3-[(2,3-dimethylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2,3-dimethylphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2,3-dimethylphenyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-10-5-3-8-14(11(10)2)18-16(21)17-13-7-4-6-12(9-13)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)