N-[4-(Isopropylsulfonyl)-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]urea

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Systematic / IUPAC Name: 1-[4-(Isopropylsulfonyl)-5-(methylsulfanyl)-3-thienyl]-3-[4-(trifluoromethoxy)phenyl]urea

ID: Reference4306

Other Names: N-[4-(Isopropylsulfonyl)-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]urea ;
Urea, N-[4-[(1-methylethyl)sulfonyl]-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]-

Formula: C16H17F3N2O4S3

Spectral Data

N-[4-(Isopropylsulfonyl)-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]urea 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 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2016 9:57:30 AM
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Identificators

InChI InChI=1S/C16H17F3N2O4S3/c1-9(2)28(23,24)13-12(8-27-14(13)26-3)21-15(22)20-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H2,20,21,22)
InChI Key POKSGUJPLPUPRW-UHFFFAOYSA-N
Canonical SMILES CC(C)S(=O)(=O)C1=C(SC=C1NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)SC
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Other Names N-[4-(Isopropylsulfonyl)-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]urea ;
Urea, N-[4-[(1-methylethyl)sulfonyl]-5-(methylthio)-3-thienyl]-N'-[4-(trifluoromethoxy)phenyl]-

In Other Databases

PubChem 2822825
ChemSpider 2101038