N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C21H28FN3OS MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CSC2=CC=C(C=C2)F)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CSC2=CC=C(C=C2)F)N3CCCCCC3

InChI

InChI=1S/C21H28FN3OS/c1-24-12-6-7-19(24)20(25-13-4-2-3-5-14-25)15-23-21(26)16-27-18-10-8-17(22)9-11-18/h6-12,20H,2-5,13-16H2,1H3,(H,23,26)