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

Systemtic Name: diethyl 5-[(4-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-methoxyphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-4-26-18(23)13-10-14(19(24)27-5-2)12-16(11-13)22-20(28)21-15-6-8-17(25-3)9-7-15/h6-12H,4-5H2,1-3H3,(H2,21,22,28)