N-{[3,5-Bis(methylthio)isothiazol-4-yl]carbonyl}-N'-(5-methylisoxazol-3-yl)urea

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Systematic / IUPAC Name: N-[(5-Methyl-1,2-oxazol-3-yl)carbamoyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

ID: Reference6823

Other Names: 4-Isothiazolecarboxamide, N-{[(5-methyl-3-isoxazolyl)amino]carbonyl}-3,5-bis(methylthio)-

Formula: C11H12N4O3S3

Spectral Data

N-{[3,5-Bis(methylthio)isothiazol-4-yl]carbonyl}-N'-(5-methylisoxazol-3-yl)urea 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/14/2017 12:37:56 PM
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Identificators

InChI InChI=1S/C11H12N4O3S3/c1-5-4-6(14-18-5)12-11(17)13-8(16)7-9(19-2)15-21-10(7)20-3/h4H,1-3H3,(H2,12,13,14,16,17)
InChI Key YKDYMUXTIXFSAV-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NO1)NC(=O)NC(=O)C2=C(SN=C2SC)SC
CAS
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Other Names 4-Isothiazolecarboxamide, N-{[(5-methyl-3-isoxazolyl)amino]carbonyl}-3,5-bis(methylthio)-

In Other Databases

PubChem 2739011
ChemSpider 2020636