tert-Butyl 4-[(pyridin-3-ylamino)carbothioyl]-1,4-diazepane-1-carboxylate

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Systematic / IUPAC Name: 2-Methyl-2-propanyl 4-(3-pyridinylcarbamothioyl)-1,4-diazepane-1-carboxylate

ID: Reference4498

Other Names: 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[(3-pyridinylamino)thioxomethyl]-, 1,1-dimethylethyl ester

Formula: C16H24N4O2S

Spectral Data

tert-Butyl 4-[(pyridin-3-ylamino)carbothioyl]-1,4-diazepane-1-carboxylate 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 10:50:40 AM
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Identificators

InChI InChI=1S/C16H24N4O2S/c1-16(2,3)22-15(21)20-9-5-8-19(10-11-20)14(23)18-13-6-4-7-17-12-13/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,23)
InChI Key ZOUZVMDSUDWJSC-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)N1CCCN(CC1)C(=S)NC2=CN=CC=C2
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Other Names 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-[(3-pyridinylamino)thioxomethyl]-, 1,1-dimethylethyl ester

In Other Databases

ChemSpider 2074946
PubChem 2796070