N-(2-Chlorophenyl)-N'-{[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}thiourea

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Systematic / IUPAC Name: N-[(2-Chlorophenyl)carbamothioyl]-4-(isopropylsulfonyl)-5-(methylsulfanyl)-2-thiophenecarboxamide

ID: Reference4818

Other Names: N-(2-Chlorophenyl)-N'-{[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}thiourea ;
2-Thiophenecarboxamide, N-{[(2-chlorophenyl)amino]thioxomethyl}-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-

Formula: C16H17ClN2O3S4

Spectral Data

N-(2-Chlorophenyl)-N'-{[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/12/2016 10:23:15 AM
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Identificators

InChI InChI=1S/C16H17ClN2O3S4/c1-9(2)26(21,22)13-8-12(25-15(13)24-3)14(20)19-16(23)18-11-7-5-4-6-10(11)17/h4-9H,1-3H3,(H2,18,19,20,23)
InChI Key PXFZXBPUTOIMFM-UHFFFAOYSA-N
Canonical SMILES CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)NC(=S)NC2=CC=CC=C2Cl)SC
CAS
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Other Names N-(2-Chlorophenyl)-N'-{[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]carbonyl}thiourea ;
2-Thiophenecarboxamide, N-{[(2-chlorophenyl)amino]thioxomethyl}-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-

In Other Databases

PubChem 2820772
ChemSpider 2099001