2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazino]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C25H33ClN2OS MolecularWeight: 445.06032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(N2CCN(CC2)C3=CC(=CC=C3)Cl)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C25H33ClN2OS/c1-24(2,3)20-14-17(15-21(22(20)29)25(4,5)6)23(30)28-12-10-27(11-13-28)19-9-7-8-18(26)16-19/h7-9,14-16,30H,10-13H2,1-6H3