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

Systemtic Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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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)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N5O5S2/c1-30-19-13-17(23-20(25-19)31-2)26-33(28,29)16-10-8-15(9-11-16)22-21(32)24-18(27)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,25,26)(H2,22,24,27,32)