N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(phenylthio)propionamide Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CCSC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CCSC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C22H31N3OS/c1-24-14-9-12-20(24)21(25-15-7-2-3-8-16-25)18-23-22(26)13-17-27-19-10-5-4-6-11-19/h4-6,9-12,14,21H,2-3,7-8,13,15-18H2,1H3,(H,23,26)