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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-propan-1-one CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propan-1-one Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2S/c1-27(2,3)23-18-22(19-24(26(23)32)28(4,5)6)33-17-12-25(31)30-15-13-29(14-16-30)20-21-10-8-7-9-11-21/h7-11,18-19,32H,12-17,20H2,1-6H3