2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[3-(methylthio)-1-oxopropyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(3-methylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[3-(methylthio)propanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CSCCC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2S/c1-25-15-9-19(24)22-12-5-11-21(13-14-22)16-18(23)20-10-8-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3,(H,20,23)