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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(phenylmethyl)piperidin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-benzyl-1-piperidyl)-sulfanyl-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[mercapto-[4-(phenylmethyl)-1-piperidinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-benzylpiperidin-1-yl)-sulfanylmethylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-benzylpiperidino)-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C27H37NOS MolecularWeight: 423.65378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N2CCC(CC2)CC3=CC=CC=C3)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(N2CCC(CC2)CC3=CC=CC=C3)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H37NOS/c1-26(2,3)22-17-21(18-23(24(22)29)27(4,5)6)25(30)28-14-12-20(13-15-28)16-19-10-8-7-9-11-19/h7-11,17-18,20,30H,12-16H2,1-6H3