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CHEBI:228558 - 4-(morpholinocarbothioyl)benzonitrile

ChEBI IDCHEBI:228558
ChEBI Name4-(morpholinocarbothioyl)benzonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2OS
Net Charge0
Average Mass232.308
Monoisotopic Mass232.06703
SMILESN#Cc1ccc(C(=S)N2CCOCC2)cc1
InChIInChI=1S/C12H12N2OS/c13-9-10-1-3-11(4-2-10)12(16)14-5-7-15-8-6-14/h1-4H,5-8H2
InChIKeyWWKKQGHDWDVGMG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-(morpholinocarbothioyl)benzonitrile (CHEBI:228558) is a benzenes (CHEBI:22712)
4-(morpholinocarbothioyl)benzonitrile (CHEBI:228558) is a nitrile (CHEBI:18379)
IUPAC Name 
4-(morpholine-4-carbothioyl)benzonitrile
Manual XrefsDatabases
2080278ChemSpider