N-(4-Heptylbenzoyl)-N'-(5-methyl-3-isoxazolyl)thiourea

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Systematic / IUPAC Name: 4-Heptyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]benzamide

ID: Reference5551

Other Names: N-(4-Heptylbenzoyl)-N'-(5-methyl-3-isoxazolyl)thiourea ;
Benzamide, 4-heptyl-N-{[(5-methyl-3-isoxazolyl)amino]thioxomethyl}-

Formula: C19H25N3O2S

Spectral Data

N-(4-Heptylbenzoyl)-N'-(5-methyl-3-isoxazolyl)thiourea 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 222
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 8:39:26 AM
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Identificators

InChI InChI=1S/C19H25N3O2S/c1-3-4-5-6-7-8-15-9-11-16(12-10-15)18(23)21-19(25)20-17-13-14(2)24-22-17/h9-13H,3-8H2,1-2H3,(H2,20,21,22,23,25)
InChI Key MVMMGEDPXZLSQW-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NOC(=C2)C
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Other Names N-(4-Heptylbenzoyl)-N'-(5-methyl-3-isoxazolyl)thiourea ;
Benzamide, 4-heptyl-N-{[(5-methyl-3-isoxazolyl)amino]thioxomethyl}-

In Other Databases

ChemSpider 2075262
PubChem 2796399