3,5-bis(bromanyl)-2-(propanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-(propanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dibromo-2-(propanoylcarbamothioylamino)benzoic acid CAS Name: 3,5-dibromo-2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-(propanoylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dibromo-2-(propionylthiocarbamoylamino)benzoic acid Formula: C11H10Br2N2O3S MolecularWeight: 410.0817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Br)Br

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=C(C=C1C(=O)O)Br)Br

InChI

InChI=1S/C11H10Br2N2O3S/c1-2-8(16)14-11(19)15-9-6(10(17)18)3-5(12)4-7(9)13/h3-4H,2H2,1H3,(H,17,18)(H2,14,15,16,19)