5-chloranyl-2-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 5-chloro-2-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 5-chloro-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 5-chloro-2-(valerylthiocarbamoylamino)benzoic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c1-2-3-4-11(17)16-13(20)15-10-6-5-8(14)7-9(10)12(18)19/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)