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(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea

View entire compound with spectra: 1 MS (GC)

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea
SpectraBase Compound ID 2VKaTFYWr6E
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-9-14(20(24,25)26)11-16(10-13)28-18(30)27-15-5-4-8-29(12-15)17-6-2-1-3-7-17/h9-11,15,17H,1-8,12H2,(H2,27,28,30)/t15-/m0/s1
InChIKey LTTMRYSLMWVARR-HNNXBMFYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C20H25F6N3S
Exact Mass 453.167338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZN9GYHNGBP
Name (S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F6N3S
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-9-14(20(24,25)26)11-16(10-13)28-18(30)27-15-5-4-8-29(12-15)17-6-2-1-3-7-17/h9-11,15,17H,1-8,12H2,(H2,27,28,30)/t15-/m0/s1
InChIKey LTTMRYSLMWVARR-HNNXBMFYSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 453.491 g/mol
SMILES N(c1cc(cc(C(F)(F)F)c1)C(F)(F)F)C(N[C@@]1(CN(CCC1)C1CCCCC1)[H])=S
SPLASH splash10-014i-2900000000-87edc571e4abb5846d74
Source of Spectrum A1-14-4518/SMS8-4e
Synonyms (S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-cyclohexylpiperidin-3-yl)thiourea
Wiley ID 1750568