2-methyl-3-(propanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methyl-3-(propanoylcarbamothioylamino)benzoate Openeye Name: 2-methyl-3-(propanoylcarbamothioylamino)benzoate CAS Name: 2-methyl-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-methyl-3-(propanoylcarbamothioylamino)benzoate Traditional Name: 2-methyl-3-(propionylthiocarbamoylamino)benzoate Formula: C12H13N2O3S- MolecularWeight: 265.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c1-3-10(15)14-12(18)13-9-6-4-5-8(7(9)2)11(16)17/h4-6H,3H2,1-2H3,(H,16,17)(H2,13,14,15,18)/p-1