1-(4-phenylsulfanylbutyl)azepan-2-one

Systemtic Name: 1-(4-phenylsulfanylbutyl)azepan-2-one Openeye Name: 1-(4-phenylsulfanylbutyl)azepan-2-one CAS Name: 1-[4-(phenylthio)butyl]-2-azepanone IUPAC Name: 1-(4-phenylsulfanylbutyl)azepan-2-one Traditional Name: 1-[4-(phenylthio)butyl]azepan-2-one Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCCSC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCCSC2=CC=CC=C2

InChI

InChI=1S/C16H23NOS/c18-16-11-5-2-6-12-17(16)13-7-8-14-19-15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14H2