(S,S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1S,2S)-2-(2-FLUORO-4-METHOXYPHENYLAMINO)-CYCLOHEXYL]-THIOUREA

SpectraBase Compound ID	42zNM5Flslt
InChI	InChI=1S/C22H22F7N3OS/c1-33-15-6-7-17(16(23)11-15)31-18-4-2-3-5-19(18)32-20(34)30-14-9-12(21(24,25)26)8-13(10-14)22(27,28)29/h6-11,18-19,31H,2-5H2,1H3,(H2,30,32,34)/t18-,19-/m0/s1
InChIKey	JUFKPTHEOSGPSE-OALUTQOASA-N Google Search
Mol Weight	509.49 g/mol
Molecular Formula	C22H22F7N3OS
Exact Mass	509.137181 g/mol

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SpectraBase Spectrum ID	GsM7aWDV11w
Name	(S,S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[(1S,2S)-2-(2-FLUORO-4-METHOXYPHENYLAMINO)-CYCLOHEXYL]-THIOUREA
Compound Number	(S,S)-#1F
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C22H22F7N3OS
InChI	InChI=1S/C22H22F7N3OS/c1-33-15-6-7-17(16(23)11-15)31-18-4-2-3-5-19(18)32-20(34)30-14-9-12(21(24,25)26)8-13(10-14)22(27,28)29/h6-11,18-19,31H,2-5H2,1H3,(H2,30,32,34)/t18-,19-/m0/s1
InChIKey	JUFKPTHEOSGPSE-OALUTQOASA-N
Literature Reference Author	K.YOSHIDA,T.INOKUMA,K.TAKASU,Y.TAKEMOTO
Literature Reference Citation	MOLECULES,15,8305(2010)
Literature Reference DOI	10.3390/molecules15118305
Molecular Weight	509.485 g/mol
Sample ID	72684
Solvent	DMSO-D6