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

Systemtic Name: 4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12Br2N2O4S MolecularWeight: 488.15048

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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)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H12Br2N2O4S/c1-24-13-11(6-9(17)7-12(13)18)14(21)20-16(25)19-10-4-2-8(3-5-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)