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

Systemtic Name: diethyl 5-[(3,4-dimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3,4-dimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,4-dimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzene-1,3-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(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

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

InChI

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