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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Cl

InChI

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