2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H28FN3OS MolecularWeight: 401.540623

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3OS/c1-2-28-21-10-4-18(5-11-21)16-25-12-3-13-26(15-14-25)17-22(27)24-20-8-6-19(23)7-9-20/h4-11H,2-3,12-17H2,1H3,(H,24,27)