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1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(piperidin-1-yl)propyl]thiourea
SpectraBase Compound ID GkIn9Qpp7oy
InChI InChI=1S/C23H25F6N3S/c1-15(32-10-6-3-7-11-32)20(16-8-4-2-5-9-16)31-21(33)30-19-13-17(22(24,25)26)12-18(14-19)23(27,28)29/h2,4-5,8-9,12-15,20H,3,6-7,10-11H2,1H3,(H2,30,31,33)/t15-,20+/m0/s1
InChIKey SYYGVHIAQPWUBX-MGPUTAFESA-N
Mol Weight 489.52 g/mol
Molecular Formula C23H25F6N3S
Exact Mass 489.167338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpwBUN11qad
Name 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(piperidin-1-yl)propyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F6N3S
InChI InChI=1S/C23H25F6N3S/c1-15(32-10-6-3-7-11-32)20(16-8-4-2-5-9-16)31-21(33)30-19-13-17(22(24,25)26)12-18(14-19)23(27,28)29/h2,4-5,8-9,12-15,20H,3,6-7,10-11H2,1H3,(H2,30,31,33)/t15-,20+/m0/s1
InChIKey SYYGVHIAQPWUBX-MGPUTAFESA-N
Molecular Weight 489.524 g/mol
SMILES N(C(N[C@]([C@@](N1CCCCC1)(C)[H])(c1ccccc1)[H])=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-03di-0900000000-34a9ecf5b4a9c0aec032
Source of Spectrum F4-43-1908-D
Synonyms 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(1-piperidinyl)propyl]thiourea 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-piperidin-1-ylpropyl]thiourea 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(1-piperidyl)propyl]thiourea 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-piperidin-1-yl-propyl]thiourea
Wiley ID 1675677