5-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)piperazin-1-yl]-5-oxidanylidene-pentanethial

Systemtic Name: 5-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-(phenylmethyl)piperazin-1-yl]-5-oxidanylidene-pentanethial Openeye Name: 5-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazin-1-yl]-5-oxo-pentanethial CAS Name: 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(phenylmethyl)-1-piperazinyl]-5-oxopentanethial IUPAC Name: 5-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)piperazin-1-yl]-5-oxopentanethial Traditional Name: 5-[4-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)piperazino]-5-keto-thiovaleraldehyde Formula: C30H42N2O2S MolecularWeight: 494.73168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CCCC=S)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CN(CCN2C(=O)CCCC=S)CC3=CC=CC=C3

InChI

InChI=1S/C30H42N2O2S/c1-29(2,3)24-18-23(19-25(28(24)34)30(4,5)6)26-21-31(20-22-12-8-7-9-13-22)15-16-32(26)27(33)14-10-11-17-35/h7-9,12-13,17-19,26,34H,10-11,14-16,20-21H2,1-6H3