methyl 4,5-dimethoxy-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H21N5O6S2 MolecularWeight: 503.55134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

InChI

InChI=1S/C21H21N5O6S2/c1-30-17-11-15(19(27)32-3)16(12-18(17)31-2)25-21(33)24-13-5-7-14(8-6-13)34(28,29)26-20-22-9-4-10-23-20/h4-12H,1-3H3,(H,22,23,26)(H2,24,25,33)