Methyl 3-[({[(5-nitro-3-thienyl)carbonyl]amino}carbothioyl)amino]benzoate

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Systematic / IUPAC Name: Methyl 3-[(5-nitrothiophene-3-carbonyl)carbamothioylamino]benzoate

ID: Reference8694

Other Names: Benzoic acid, 3-[[[[(5-nitro-3-thienyl)carbonyl]amino]thioxomethyl]amino]-, methyl ester

Formula: C14H11N3O5S2

Spectral Data

Methyl 3-[({[(5-nitro-3-thienyl)carbonyl]amino}carbothioyl)amino]benzoate 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 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 9:25:24 AM
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Identificators

InChI InChI=1S/C14H11N3O5S2/c1-22-13(19)8-3-2-4-10(5-8)15-14(23)16-12(18)9-6-11(17(20)21)24-7-9/h2-7H,1H3,(H2,15,16,18,23)
InChI Key DCCPIOWYYFEEBW-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names Benzoic acid, 3-[[[[(5-nitro-3-thienyl)carbonyl]amino]thioxomethyl]amino]-, methyl ester

In Other Databases

PubChem 2806351
ChemSpider 2084862