N-[(Isobutylamino)(methylthio)methylene]-2,5-dimethoxybenzenesulfonamide

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Systematic / IUPAC Name: Methyl N-[(2,5-dimethoxyphenyl)sulfonyl]-N'-isobutylcarbamimidothioate

ID: Reference4147

Other Names: N'-[(2,5-Dimethoxybenzene)sulfonyl]-N-(2-methylpropyl)(methylsulfanyl)methanimidamide ;
Carbamimidothioic acid, N-[(2,5-dimethoxyphenyl)sulfonyl]-N'-(2-methylpropyl), methyl ester

Formula: C14H22N2O4S2

Spectral Data

N-[(Isobutylamino)(methylthio)methylene]-2,5-dimethoxybenzenesulfonamide 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 49
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2016 1:01:54 PM
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Identificators

InChI InChI=1S/C14H22N2O4S2/c1-10(2)9-15-14(21-5)16-22(17,18)13-8-11(19-3)6-7-12(13)20-4/h6-8,10H,9H2,1-5H3,(H,15,16)
InChI Key LLDQFTSYFLOHQN-UHFFFAOYSA-N
Canonical SMILES CC(C)CN=C(NS(=O)(=O)C1=C(C=CC(=C1)OC)OC)SC
CAS
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Other Names N'-[(2,5-Dimethoxybenzene)sulfonyl]-N-(2-methylpropyl)(methylsulfanyl)methanimidamide ;
Carbamimidothioic acid, N-[(2,5-dimethoxyphenyl)sulfonyl]-N'-(2-methylpropyl), methyl ester

In Other Databases

PubChem 2824569
ChemSpider 2102752