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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-[2-(phenylthio)phenyl]acetamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2S/c30-25(27-23-12-6-7-13-24(23)32-22-10-4-3-5-11-22)20-28-18-14-21(15-19-28)26(31)29-16-8-1-2-9-17-29/h3-7,10-13,21H,1-2,8-9,14-20H2,(H,27,30)