2-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(2-bromo-3,5-diiodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(2-bromo-3,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(2-bromo-3,5-diiodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9BrI2N2O3S MolecularWeight: 631.0215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C15H9BrI2N2O3S/c16-12-9(5-7(17)6-10(12)18)13(21)20-15(24)19-11-4-2-1-3-8(11)14(22)23/h1-6H,(H,22,23)(H2,19,20,21,24)