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

Systemtic Name: 4-[(4-acetamidophenyl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-acetamidophenyl)methyl]-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-acetamidophenyl)methyl]-N-[4-(trifluoromethylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-acetamidobenzyl)-N-[4-(trifluoromethylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C22H25F3N4O2S MolecularWeight: 466.51971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C22H25F3N4O2S/c1-16(30)26-18-5-3-17(4-6-18)15-28-11-2-12-29(14-13-28)21(31)27-19-7-9-20(10-8-19)32-22(23,24)25/h3-10H,2,11-15H2,1H3,(H,26,30)(H,27,31)