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

Systemtic Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-2-27-21-11-9-19(10-12-21)17-24-13-6-14-25(16-15-24)18-22(26)23-20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-18H2,1H3,(H,23,26)