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

Systemtic Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]acetamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-2-28-22-11-9-21(10-12-22)18-25-13-6-14-26(16-15-25)19-23(27)24-17-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)