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

Systemtic Name: 3-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(2-bromo-3,5-diiodo-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(2-bromo-3,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(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(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I)C(=O)O

Isomeric SMILES

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

InChI

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