N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carbothioamide CAS Name: N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carbothioamide Traditional Name: N-(4-sulfamoylphenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carbothioamide Formula: C17H18F3N5O4S2 MolecularWeight: 477.48113

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1COC(CN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)COC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H18F3N5O4S2/c18-17(19,20)14-5-6-22-15(24-14)29-10-12-9-25(7-8-28-12)16(30)23-11-1-3-13(4-2-11)31(21,26)27/h1-6,12H,7-10H2,(H,23,30)(H2,21,26,27)