4-[azepan-1-yl(sulfanyl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[azepan-1-yl(sulfanyl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[azepan-1-yl(sulfanyl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[1-azepanyl(mercapto)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[azepan-1-yl(sulfanyl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[azepan-1-yl(mercapto)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C21H33NOS MolecularWeight: 347.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N2CCCCCC2)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(N2CCCCCC2)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H33NOS/c1-20(2,3)16-13-15(14-17(18(16)23)21(4,5)6)19(24)22-11-9-7-8-10-12-22/h13-14,24H,7-12H2,1-6H3