5-tert-butyl-1-(2-phenylsulfanylethyl)azepan-2-one

Systemtic Name: 5-tert-butyl-1-(2-phenylsulfanylethyl)azepan-2-one Openeye Name: 5-tert-butyl-1-(2-phenylsulfanylethyl)azepan-2-one CAS Name: 5-tert-butyl-1-[2-(phenylthio)ethyl]-2-azepanone IUPAC Name: 5-tert-butyl-1-(2-phenylsulfanylethyl)azepan-2-one Traditional Name: 5-tert-butyl-1-[2-(phenylthio)ethyl]azepan-2-one Formula: C18H27NOS MolecularWeight: 305.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1CCC(=O)N(CC1)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H27NOS/c1-18(2,3)15-9-10-17(20)19(12-11-15)13-14-21-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3