4-[(1-methylimidazol-2-yl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C18H22F3N5OS MolecularWeight: 413.46039

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H22F3N5OS/c1-24-10-7-22-16(24)13-25-8-2-9-26(12-11-25)17(27)23-14-3-5-15(6-4-14)28-18(19,20)21/h3-7,10H,2,8-9,11-13H2,1H3,(H,23,27)