Ethyl 4-{[(3-methyl-2-pyridinyl)carbamothioyl]amino}benzoate

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Systematic / IUPAC Name: Ethyl 4-{[(3-methyl-2-pyridinyl)carbamothioyl]amino}benzoate

ID: Reference4853

Other Names: Benzoic acid, 4-({[(3-methyl-2-pyridinyl)amino]thioxomethyl}amino)-, ethyl ester ;
Ethyl 4-({[(3-methyl-2-pyridyl)amino]carbothioyl}amino)benzoate

Formula: C16H17N3O2S

Spectral Data

Ethyl 4-{[(3-methyl-2-pyridinyl)carbamothioyl]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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/13/2016 10:50:47 AM
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Identificators

InChI InChI=1S/C16H17N3O2S/c1-3-21-15(20)12-6-8-13(9-7-12)18-16(22)19-14-11(2)5-4-10-17-14/h4-10H,3H2,1-2H3,(H2,17,18,19,22)
InChI Key MZOXIQDTWDSLBV-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC=N2)C
CAS
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Other Names Benzoic acid, 4-({[(3-methyl-2-pyridinyl)amino]thioxomethyl}amino)-, ethyl ester ;
Ethyl 4-({[(3-methyl-2-pyridyl)amino]carbothioyl}amino)benzoate

In Other Databases

PubChem 2826559
ChemSpider 2104668