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

Systemtic Name: 4-ethanoyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C15H18F3N3O2S MolecularWeight: 361.38253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C15H18F3N3O2S/c1-11(22)20-7-2-8-21(10-9-20)14(23)19-12-3-5-13(6-4-12)24-15(16,17)18/h3-6H,2,7-10H2,1H3,(H,19,23)