5-bromanyl-2-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[sulfanylidene-[(2,2,2-trichloro-1-oxoethyl)amino]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2,2,2-trichloroacetyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(2,2,2-trichloroacetyl)thiocarbamoylamino]benzoic acid Formula: C10H6BrCl3N2O3S MolecularWeight: 420.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C10H6BrCl3N2O3S/c11-4-1-2-6(5(3-4)7(17)18)15-9(20)16-8(19)10(12,13)14/h1-3H,(H,17,18)(H2,15,16,19,20)