dimethyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H14BrClN2O4S MolecularWeight: 457.72606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H14BrClN2O4S/c1-24-15(22)9-3-5-11(16(23)25-2)14(7-9)21-17(26)20-13-6-4-10(18)8-12(13)19/h3-8H,1-2H3,(H2,20,21,26)