2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-pentan-1-one CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]pentan-1-one Formula: C30H44N2O2S MolecularWeight: 496.74756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C30H44N2O2S/c1-8-12-26(28(34)32-17-15-31(16-18-32)21-22-13-10-9-11-14-22)35-23-19-24(29(2,3)4)27(33)25(20-23)30(5,6)7/h9-11,13-14,19-20,26,33H,8,12,15-18,21H2,1-7H3