diethyl 5-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C19H18BrClN2O4S MolecularWeight: 485.77922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C(=O)OCC

InChI

InChI=1S/C19H18BrClN2O4S/c1-3-26-17(24)11-7-12(18(25)27-4-2)9-14(8-11)22-19(28)23-16-6-5-13(20)10-15(16)21/h5-10H,3-4H2,1-2H3,(H2,22,23,28)