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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]-2-propoxy-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-2-propoxy-propan-1-one CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-2-propoxy-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-propoxypropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-2-propoxy-propan-1-one Formula: C31H46N2O3S MolecularWeight: 526.77354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(C)(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/C31H46N2O3S/c1-9-19-36-31(8,28(35)33-17-15-32(16-18-33)22-23-13-11-10-12-14-23)37-24-20-25(29(2,3)4)27(34)26(21-24)30(5,6)7/h10-14,20-21,34H,9,15-19,22H2,1-8H3