N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea

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Systematic / IUPAC Name: 1-(2-Methylbutyl)-3-(6-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-3-pyridinyl)thiourea

ID: Reference4664

Other Names: N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea ;
Thiourea, N-(2-methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-3-pyridinyl)-

Formula: C21H27F3N6S

Spectral Data

N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2016 1:20:38 PM
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Identificators

InChI InChI=1S/C21H27F3N6S/c1-3-15(2)12-27-20(31)28-17-5-7-19(26-14-17)30-10-8-29(9-11-30)18-6-4-16(13-25-18)21(22,23)24/h4-7,13-15H,3,8-12H2,1-2H3,(H2,27,28,31)
InChI Key CQYACWQCVYTROC-UHFFFAOYSA-N
Canonical SMILES CCC(C)CNC(=S)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F
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Other Names N-(2-Methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea ;
Thiourea, N-(2-methylbutyl)-N'-(6-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-3-pyridinyl)-

In Other Databases

ChemSpider 2023345
PubChem 2741789