2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C29H41FN2O2S MolecularWeight: 500.711443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C29H41FN2O2S/c1-28(2,3)24-18-21(19-25(27(24)34)29(4,5)6)8-7-17-35-20-26(33)32-15-13-31(14-16-32)23-11-9-22(30)10-12-23/h9-12,18-19,34H,7-8,13-17,20H2,1-6H3