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

Systemtic Name: diethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C19H18ClFN2O4S MolecularWeight: 424.873623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN2O4S/c1-3-26-17(24)11-5-7-13(18(25)27-4-2)16(9-11)23-19(28)22-12-6-8-15(21)14(20)10-12/h5-10H,3-4H2,1-2H3,(H2,22,23,28)