2-{[[(4-Heptylbenzoyl)amino](methylthio)methylene]amino}-6-methylpyridine

enlarge

Systematic / IUPAC Name: Methyl N'-(4-heptylbenzoyl)-N-(6-methyl-2-pyridinyl)carbamimidothioate

ID: Reference8439

Other Names: Carbamimidothioic acid, N'-(4-heptylbenzoyl)-N-(6-methyl-2-pyridinyl)-, methyl ester

Formula: C22H29N3OS

Spectral Data

2-{[[(4-Heptylbenzoyl)amino](methylthio)methylene]amino}-6-methylpyridine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/11/2018 8:51:57 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H29N3OS/c1-4-5-6-7-8-11-18-13-15-19(16-14-18)21(26)25-22(27-3)24-20-12-9-10-17(2)23-20/h9-10,12-16H,4-8,11H2,1-3H3,(H,23,24,25,26)
InChI Key XPVNISRBIMZKMK-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC1=CC=C(C=C1)C(=O)N=C(NC2=CC=CC(=N2)C)SC
CAS
Splash
Other Names Carbamimidothioic acid, N'-(4-heptylbenzoyl)-N-(6-methyl-2-pyridinyl)-, methyl ester

In Other Databases

PubChem 2796404
ChemSpider 2075267