2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-[3-(methylthio)phenyl]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-27-19-8-6-7-18(15-19)22-20(25)16-23-13-9-17(10-14-23)21(26)24-11-4-2-3-5-12-24/h6-8,15,17H,2-5,9-14,16H2,1H3,(H,22,25)