5-bromanyl-2-(propanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(propanoylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-(propanoylcarbamothioylamino)benzoic acid CAS Name: 5-bromo-2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-(propanoylcarbamothioylamino)benzoic acid Traditional Name: 5-bromo-2-(propionylthiocarbamoylamino)benzoic acid Formula: C11H11BrN2O3S MolecularWeight: 331.18564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2O3S/c1-2-9(15)14-11(18)13-8-4-3-6(12)5-7(8)10(16)17/h3-5H,2H2,1H3,(H,16,17)(H2,13,14,15,18)