SpectraBase Spectrum ID |
1gFwBf9j3UU |
Name |
1-[3,5-bis(Trifluoromethyl)phenyl-3-[(1R,2R)-2-morpholinocyclohexyl]thiourea |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
455.146602524 u |
Formula |
C19H23F6N3OS |
InChI |
InChI=1S/C19H23F6N3OS/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)26-17(30)27-15-3-1-2-4-16(15)28-5-7-29-8-6-28/h9-11,15-16H,1-8H2,(H2,26,27,30)/t15-,16-/m1/s1 |
InChIKey |
RKJZENOPFIKSGN-HZPDHXFCSA-N |
Molecular Weight |
455.463 g/mol |
SMILES |
C(C1=CC(C(F)(F)F)=CC(=C1)NC(N[C@]1([C@](N2CCOCC2)(CCCC1)[H])[H])=S)(F)(F)F |