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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(diphenylmethyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)-sulfanyl-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[4-(diphenylmethyl)-1-piperazinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)-sulfanylmethylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-benzhydrylpiperazino)-mercapto-methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C32H40N2OS MolecularWeight: 500.7378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C32H40N2OS/c1-31(2,3)26-21-25(22-27(29(26)35)32(4,5)6)30(36)34-19-17-33(18-20-34)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,28,36H,17-20H2,1-6H3