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

Systemtic Name: dimethyl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N5O6S2 MolecularWeight: 501.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O6S2/c1-31-18(27)13-10-14(19(28)32-2)12-16(11-13)25-21(33)24-15-4-6-17(7-5-15)34(29,30)26-20-22-8-3-9-23-20/h3-12H,1-2H3,(H,22,23,26)(H2,24,25,33)