dimethyl 5-[(4-morpholin-4-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-morpholin-4-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-morpholinophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-morpholin-4-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-morpholinophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-27-19(25)14-11-15(20(26)28-2)13-17(12-14)23-21(30)22-16-3-5-18(6-4-16)24-7-9-29-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,30)