3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(2,2-dimethylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(pivaloylthiocarbamoylamino)benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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