N1-(4-Chloro-2,6-dimethoxyphenyl)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindole-1-carbothioamide

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Systematic / IUPAC Name: N-(4-Chloro-2,6-dimethoxyphenyl)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindole-1-carbothioamide

ID: Reference3767

Other Names: 1H-Imidazo[2,1-a]isoindole-1-carbothioamide, N-(4-chloro-2,6-dimethoxyphenyl)-2,3,5,9b-tetrahydro-5-oxo-9b-phenyl-

Formula: C25H22ClN3O3S

Spectral Data

N1-(4-Chloro-2,6-dimethoxyphenyl)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindole-1-carbothioamide 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 65
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/9/2016 1:51:38 PM
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Identificators

InChI InChI=1S/C25H22ClN3O3S/c1-31-20-14-17(26)15-21(32-2)22(20)27-24(33)29-13-12-28-23(30)18-10-6-7-11-19(18)25(28,29)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,33)
InChI Key IVGDUOSZOZATFY-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1NC(=S)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=CC=C5)OC)Cl
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Other Names 1H-Imidazo[2,1-a]isoindole-1-carbothioamide, N-(4-chloro-2,6-dimethoxyphenyl)-2,3,5,9b-tetrahydro-5-oxo-9b-phenyl-

In Other Databases

ChemSpider 2085742
PubChem 2807281