4-methyl-N-[3-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-methyl-N-[3-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-methyl-N-[3-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-methyl-N-[3-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-methyl-N-[3-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-methyl-N-[3-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C14H18F3N3OS MolecularWeight: 333.37243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C14H18F3N3OS/c1-19-6-3-7-20(9-8-19)13(21)18-11-4-2-5-12(10-11)22-14(15,16)17/h2,4-5,10H,3,6-9H2,1H3,(H,18,21)