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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C16H11BrI2N2O4S MolecularWeight: 661.04748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C16H11BrI2N2O4S/c1-25-12-3-2-7(17)4-9(12)14(22)21-16(26)20-13-10(15(23)24)5-8(18)6-11(13)19/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)