N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C20H18IN5O5S2 MolecularWeight: 599.42189

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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)C3=CC=CC=C3I)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I)OC

InChI

InChI=1S/C20H18IN5O5S2/c1-30-17-11-16(23-19(24-17)31-2)26-33(28,29)13-9-7-12(8-10-13)22-20(32)25-18(27)14-5-3-4-6-15(14)21/h3-11H,1-2H3,(H,23,24,26)(H2,22,25,27,32)