| SpectraBase Spectrum ID |
FIlp2lJ8lIN |
| Name |
1-[3,5-bis(Trifluoromethyl)phenyl-3-[(1S,2S)-2-(piperidin-1-yl)cyclohexyl]thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.167337969 u |
| Formula |
C20H25F6N3S |
| InChI |
InChI=1S/C20H25F6N3S/c21-19(22,23)13-10-14(20(24,25)26)12-15(11-13)27-18(30)28-16-6-2-3-7-17(16)29-8-4-1-5-9-29/h10-12,16-17H,1-9H2,(H2,27,28,30)/t16-,17-/m0/s1 |
| InChIKey |
JPNIOHVSKNMMJH-IRXDYDNUSA-N |
| Molecular Weight |
453.491 g/mol |
| SMILES |
C(C1=CC(C(F)(F)F)=CC(=C1)NC(N[C@@]1([C@@](N2CCCCC2)(CCCC1)[H])[H])=S)(F)(F)F |
![1-[3,5-Bis(trifluoromethyl)phenyl-3-[(1S,2S)-2-(piperidin-1-yl)cyclohexyl]thiourea](/api/spectrum/FIlp2lJ8lIN/structure.png?h=300&w=458 "1-[3,5-Bis(trifluoromethyl)phenyl-3-[(1S,2S)-2-(piperidin-1-yl)cyclohexyl]thiourea")
