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

Systemtic Name: 5-bromanyl-2-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-bromo-3,5-diiodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(2-bromo-3,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(2-bromo-3,5-diiodo-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Br2I2N2O3S MolecularWeight: 709.91756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C15H8Br2I2N2O3S/c16-6-1-2-11(8(3-6)14(23)24)20-15(25)21-13(22)9-4-7(18)5-10(19)12(9)17/h1-5H,(H,23,24)(H2,20,21,22,25)