diethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-fluorophenyl)methylcarbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN2O4S/c1-3-26-18(24)14-7-10-16(19(25)27-4-2)17(11-14)23-20(28)22-12-13-5-8-15(21)9-6-13/h5-11H,3-4,12H2,1-2H3,(H2,22,23,28)