1-(azepan-1-yl)-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-benzylsulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-(phenylmethylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-benzylsulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(benzylthio)ethanone Formula: C15H21NOS MolecularWeight: 263.39834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H21NOS/c17-15(16-10-6-1-2-7-11-16)13-18-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2