2-(butanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-(butanoylcarbamothioylamino)benzoic acid Openeye Name: 2-(butanoylcarbamothioylamino)benzoic acid CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(butanoylcarbamothioylamino)benzoic acid Traditional Name: 2-(butyrylthiocarbamoylamino)benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)O

InChI

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