N1-(3-Pyridyl)-4-(2,4-dichlorobenzyl)-1,4-diazepane-1-carbothioamide

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Systematic / IUPAC Name: 4-(2,4-Dichlorobenzyl)-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide

ID: Reference5917

Other Names: 1H-1,4-Diazepine-1-carbothioamide, 4-[(2,4-dichlorophenyl)methyl]hexahydro-N-3-pyridinyl-

Formula: C18H20Cl2N4S

Spectral Data

N1-(3-Pyridyl)-4-(2,4-dichlorobenzyl)-1,4-diazepane-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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/8/2016 8:33:16 AM
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Identificators

InChI InChI=1S/C18H20Cl2N4S/c19-15-5-4-14(17(20)11-15)13-23-7-2-8-24(10-9-23)18(25)22-16-3-1-6-21-12-16/h1,3-6,11-12H,2,7-10,13H2,(H,22,25)
InChI Key AJIPTDMZSCCBDI-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=C(C=C(C=C3)Cl)Cl
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Other Names 1H-1,4-Diazepine-1-carbothioamide, 4-[(2,4-dichlorophenyl)methyl]hexahydro-N-3-pyridinyl-

In Other Databases

ChemSpider 2074682
PubChem 2795806