diethyl 2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C23H23N5O6S2/c1-3-33-20(29)15-6-11-18(21(30)34-4-2)19(14-15)27-23(35)26-16-7-9-17(10-8-16)36(31,32)28-22-24-12-5-13-25-22/h5-14H,3-4H2,1-2H3,(H,24,25,28)(H2,26,27,35)