dipropan-2-yl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H27N5O6S2 MolecularWeight: 557.64178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O6S2/c1-15(2)35-22(31)17-12-18(23(32)36-16(3)4)14-20(13-17)29-25(37)28-19-6-8-21(9-7-19)38(33,34)30-24-26-10-5-11-27-24/h5-16H,1-4H3,(H,26,27,30)(H2,28,29,37)