4-methoxy-3-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methoxy-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methoxy-3-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 4-methoxy-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isobutyrylthiocarbamoylamino)-4-methoxy-benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C13H16N2O4S/c1-7(2)11(16)15-13(20)14-9-6-8(12(17)18)4-5-10(9)19-3/h4-7H,1-3H3,(H,17,18)(H2,14,15,16,20)