EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115023 - N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide

ChEBI IDCHEBI:115023
ChEBI NameN-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
Stars
DownloadsMolfile
FormulaC19H25N5S
Net Charge0
Average Mass355.511
Monoisotopic Mass355.18307
SMILESCCCCc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5S/c1-2-3-5-16-6-8-17(9-7-16)22-19(25)24-14-12-23(13-15-24)18-20-10-4-11-21-18/h4,6-11H,2-3,5,12-15H2,1H3,(H,22,25)
InChIKeyXZAJBIOTSDUBQE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide (CHEBI:115023) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-26485LINCS