4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-butan-1-one CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]butan-1-one Formula: C29H42N2O2S MolecularWeight: 482.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C29H42N2O2S/c1-28(2,3)24-19-23(20-25(27(24)33)29(4,5)6)34-18-10-13-26(32)31-16-14-30(15-17-31)21-22-11-8-7-9-12-22/h7-9,11-12,19-20,33H,10,13-18,21H2,1-6H3