4-(oxan-4-ylcarbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(oxan-4-ylcarbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(tetrahydropyran-4-carbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[4-oxanyl(oxo)methyl]-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(oxane-4-carbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(tetrahydropyran-4-carbonyl)-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C19H24F3N3O3S MolecularWeight: 431.47237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)SC(F)(F)F)C(=O)C3CCOCC3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)SC(F)(F)F)C(=O)C3CCOCC3

InChI

InChI=1S/C19H24F3N3O3S/c20-19(21,22)29-16-4-2-15(3-5-16)23-18(27)25-9-1-8-24(10-11-25)17(26)14-6-12-28-13-7-14/h2-5,14H,1,6-13H2,(H,23,27)