2-(4-bromanylphenoxy)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]acetamide Formula: C21H20BrN5O6S2 MolecularWeight: 582.4474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H20BrN5O6S2/c1-31-19-11-17(24-20(26-19)32-2)27-35(29,30)16-9-5-14(6-10-16)23-21(34)25-18(28)12-33-15-7-3-13(22)4-8-15/h3-11H,12H2,1-2H3,(H,24,26,27)(H2,23,25,28,34)