diethyl 5-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,4-dichlorophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O4S/c1-3-26-17(24)11-7-12(18(25)27-4-2)9-14(8-11)23-19(28)22-13-5-6-15(20)16(21)10-13/h5-10H,3-4H2,1-2H3,(H2,22,23,28)