4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-4-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H11Br2ClN2O4S MolecularWeight: 522.59554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Br2ClN2O4S/c1-25-13-10(4-7(17)5-11(13)18)14(22)21-16(26)20-8-2-3-9(15(23)24)12(19)6-8/h2-6H,1H3,(H,23,24)(H2,20,21,22,26)