2-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 2-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 2-methyl-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isobutyrylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-7(2)11(16)15-13(19)14-10-6-4-5-9(8(10)3)12(17)18/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,19)