3-(4-chloranylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(4-chloranylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(4-chlorobutanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(4-chlorobutanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(4-chlorobutanoylthiocarbamoylamino)benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c13-6-2-5-10(16)15-12(19)14-9-4-1-3-8(7-9)11(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)(H2,14,15,16,19)