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

Systemtic Name: 3,5-bis(bromanyl)-2-(butanoylcarbamothioylamino)benzoic acid Openeye Name: 3,5-dibromo-2-(butanoylcarbamothioylamino)benzoic acid CAS Name: 3,5-dibromo-2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-(butanoylcarbamothioylamino)benzoic acid Traditional Name: 3,5-dibromo-2-(butyrylthiocarbamoylamino)benzoic acid Formula: C12H12Br2N2O3S MolecularWeight: 424.10828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br2N2O3S/c1-2-3-9(17)15-12(20)16-10-7(11(18)19)4-6(13)5-8(10)14/h4-5H,2-3H2,1H3,(H,18,19)(H2,15,16,17,20)