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

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C15H8BrClI2N2O3S MolecularWeight: 665.46656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)Cl

InChI

InChI=1S/C15H8BrClI2N2O3S/c16-6-1-2-10(17)8(3-6)13(22)21-15(25)20-12-9(14(23)24)4-7(18)5-11(12)19/h1-5H,(H,23,24)(H2,20,21,22,25)