5-bromanyl-2-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9BrClIN2O3S MolecularWeight: 539.57003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl

InChI

InChI=1S/C15H9BrClIN2O3S/c16-7-1-4-12(10(5-7)14(22)23)19-15(24)20-13(21)9-6-8(18)2-3-11(9)17/h1-6H,(H,22,23)(H2,19,20,21,24)