N-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[sulfanylidene-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]anilino]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C25H26F3N3O3S2 MolecularWeight: 537.61745

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=CC=C4)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=CC=C4)S(=O)(=O)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O3S2/c26-25(27,28)18-3-1-5-20(10-18)31-36(33,34)21-6-2-4-19(11-21)29-23(35)30-22(32)24-12-15-7-16(13-24)9-17(8-15)14-24/h1-6,10-11,15-17,31H,7-9,12-14H2,(H2,29,30,32,35)