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

Systemtic Name: 4-cyclohexylcarbonyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(cyclohexanecarbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[cyclohexyl(oxo)methyl]-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(cyclohexanecarbonyl)-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(cyclohexanecarbonyl)-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H26F3N3O2S MolecularWeight: 429.49955

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C20H26F3N3O2S/c21-20(22,23)29-17-9-7-16(8-10-17)24-19(28)26-12-4-11-25(13-14-26)18(27)15-5-2-1-3-6-15/h7-10,15H,1-6,11-14H2,(H,24,28)