EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194278 - N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide

ChEBI IDCHEBI:194278
ChEBI NameN4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17ClN2O3S
Net Charge0
Average Mass316.810
Monoisotopic Mass316.06484
SMILESCOc1cc(NC(=S)N2CCOCC2)c(OC)cc1Cl
InChIInChI=1S/C13H17ClN2O3S/c1-17-11-8-10(12(18-2)7-9(11)14)15-13(20)16-3-5-19-6-4-16/h7-8H,3-6H2,1-2H3,(H,15,20)
InChIKeyCAIABYZABFPZGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide (CHEBI:194278) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
Manual XrefsDatabases
2096876ChemSpider