N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2-(methylthio)benzamide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2SC)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=CC=C2SC)N3CCCCCC3

InChI

InChI=1S/C21H29N3OS/c1-23-13-9-11-18(23)19(24-14-7-3-4-8-15-24)16-22-21(25)17-10-5-6-12-20(17)26-2/h5-6,9-13,19H,3-4,7-8,14-16H2,1-2H3,(H,22,25)