3-(propanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(propanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(propanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(propanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(propionylthiocarbamoylamino)benzoic acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S/c1-2-9(14)13-11(17)12-8-5-3-4-7(6-8)10(15)16/h3-6H,2H2,1H3,(H,15,16)(H2,12,13,14,17)