diethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3,5-dimethoxyphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-5-28-19(24)13-7-8-17(20(25)29-6-2)18(9-13)23-21(30)22-14-10-15(26-3)12-16(11-14)27-4/h7-12H,5-6H2,1-4H3,(H2,22,23,30)