diethyl 2-[(4-ethanoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(4-ethanoylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(4-acetylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-acetylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-acetylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-acetylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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=C(C=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-27-19(25)15-8-11-17(20(26)28-5-2)18(12-15)23-21(29)22-16-9-6-14(7-10-16)13(3)24/h6-12H,4-5H2,1-3H3,(H2,22,23,29)