EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183703 - N-(1-adamantyl)-N'-(2,2-diethoxyethyl)thiourea

ChEBI IDCHEBI:183703
ChEBI NameN-(1-adamantyl)-N'-(2,2-diethoxyethyl)thiourea
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H30N2O2S
Net Charge0
Average Mass326.506
Monoisotopic Mass326.20280
SMILESCCOC(CNC(=S)NC12CC3CC(CC(C3)C1)C2)OCC
InChIInChI=1S/C17H30N2O2S/c1-3-20-15(21-4-2)11-18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,3-11H2,1-2H3,(H2,18,19,22)
InChIKeyYYINKLRHDGAFEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
N-(1-adamantyl)-N'-(2,2-diethoxyethyl)thiourea (CHEBI:183703) is a thioureas (CHEBI:51276)
IUPAC Name 
1-(1-adamantyl)-3-(2,2-diethoxyethyl)thiourea
Manual XrefsDatabases
2010535ChemSpider