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

Systemtic Name: 1-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-4-(phenylmethyl)piperazin-2-yl]propan-1-one hydrochloride Openeye Name: 1-[4-benzyl-1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-piperazin-2-yl]propan-1-one hydrochloride CAS Name: 1-[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-4-(phenylmethyl)-2-piperazinyl]-1-propanone hydrochloride IUPAC Name: 1-[4-benzyl-1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpiperazin-2-yl]propan-1-one hydrochloride Traditional Name: 1-[4-benzyl-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]piperazin-2-yl]propan-1-one hydrochloride Formula: C28H41ClN2O2S MolecularWeight: 505.15534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CN(CCN1SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC=CC=C3.Cl

Isomeric SMILES

CCC(=O)C1CN(CCN1SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C28H40N2O2S.ClH/c1-8-25(31)24-19-29(18-20-12-10-9-11-13-20)14-15-30(24)33-21-16-22(27(2,3)4)26(32)23(17-21)28(5,6)7;/h9-13,16-17,24,32H,8,14-15,18-19H2,1-7H3;1H