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

Systemtic Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C24H33N3OS MolecularWeight: 411.60332

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3OS/c1-2-29-23-11-9-22(10-12-23)19-26-15-6-16-27(18-17-26)20-24(28)25-14-13-21-7-4-3-5-8-21/h3-5,7-12H,2,6,13-20H2,1H3,(H,25,28)