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

Systemtic Name: diethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-carbethoxyphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-4-28-19(25)14-7-9-17(10-8-14)23-22(31)24-18-12-15(20(26)29-5-2)11-16(13-18)21(27)30-6-3/h7-13H,4-6H2,1-3H3,(H2,23,24,31)