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

Systemtic Name: 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C16H11Br2IN2O4S MolecularWeight: 614.04701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)Br)Br

InChI

InChI=1S/C16H11Br2IN2O4S/c1-25-13-10(4-7(17)5-11(13)18)14(22)21-16(26)20-12-3-2-8(19)6-9(12)15(23)24/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)