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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

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