dimethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H16Br2N2O6S MolecularWeight: 560.21314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O6S/c1-27-15-13(7-11(20)8-14(15)21)16(24)23-19(30)22-12-5-9(17(25)28-2)4-10(6-12)18(26)29-3/h4-8H,1-3H3,(H2,22,23,24,30)