2-chloranyl-4-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-4-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-4-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-4-(isobutyrylthiocarbamoylamino)benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c1-6(2)10(16)15-12(19)14-7-3-4-8(11(17)18)9(13)5-7/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)