(S)-1-(1-Benzylpiperidine-3-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

SpectraBase Compound ID	ECAnxRvVInZ
InChI	InChI=1S/C21H21F6N3S/c22-20(23,24)15-9-16(21(25,26)27)11-18(10-15)29-19(31)28-17-7-4-8-30(13-17)12-14-5-2-1-3-6-14/h1-3,5-6,9-11,17H,4,7-8,12-13H2,(H2,28,29,31)/t17-/m0/s1
InChIKey	GIGMXVGAOIMLGB-KRWDZBQOSA-N Google Search
Mol Weight	461.47 g/mol
Molecular Formula	C21H21F6N3S
Exact Mass	461.136038 g/mol

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SpectraBase Spectrum ID	CpHAKXttRio
Name	(S)-1-(1-Benzylpiperidine-3-yl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21F6N3S
InChI	InChI=1S/C21H21F6N3S/c22-20(23,24)15-9-16(21(25,26)27)11-18(10-15)29-19(31)28-17-7-4-8-30(13-17)12-14-5-2-1-3-6-14/h1-3,5-6,9-11,17H,4,7-8,12-13H2,(H2,28,29,31)/t17-/m0/s1
InChIKey	GIGMXVGAOIMLGB-KRWDZBQOSA-N
Literature Reference DOI	10.1021/ol302005f
Molecular Weight	461.470 g/mol
SMILES	N(C(N[C@@]1(CN(CCC1)Cc1ccccc1)[H])=S)c1cc(cc(C(F)(F)F)c1)C(F)(F)F
SPLASH	splash10-00dl-9800000000-2c2debc9c05d88357c07
Source of Spectrum	A1-14-4518/SMS8-4f
Synonyms	(S)-1-(1-benzylpiperidin-3-yl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea
Wiley ID	1750569