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CHEBI:183676 - N1-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepane-1-carbothioamide

ChEBI IDCHEBI:183676
ChEBI NameN1-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepane-1-carbothioamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28FN3S
Net Charge0
Average Mass349.519
Monoisotopic Mass349.19880
SMILESFc1ccc(CN2CCCN(C(=S)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28FN3S/c20-17-9-7-16(8-10-17)15-22-11-4-12-23(14-13-22)19(24)21-18-5-2-1-3-6-18/h7-10,18H,1-6,11-15H2,(H,21,24)
InChIKeyVXNLRKZKVBIGCV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N1-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepane-1-carbothioamide (CHEBI:183676) is a aromatic amine (CHEBI:33860)
IUPAC Name 
N-cyclohexyl-4-[(4-luorophenyl)methyl]-1,4-diazepane-1-carbothioamide
Manual XrefsDatabases
2074746ChemSpider