4-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 4-(isobutyrylthiocarbamoylamino)benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-7(2)10(15)14-12(18)13-9-5-3-8(4-6-9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)