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CHEBI:94237 - N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide

ChEBI IDCHEBI:94237
ChEBI NameN-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide
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DownloadsMolfile
FormulaC21H21ClN4OS2
Net Charge0
Average Mass445.013
Monoisotopic Mass444.08453
SMILESCOc1cccc(-c2csc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)n2)c1
InChIInChI=1S/C21H21ClN4OS2/c1-27-18-7-2-4-15(12-18)19-14-29-21(24-19)26-10-8-25(9-11-26)20(28)23-17-6-3-5-16(22)13-17/h2-7,12-14H,8-11H2,1H3,(H,23,28)
InChIKeyBXJYYWCZOQPVNC-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-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide (CHEBI:94237) is a N-arylpiperazine (CHEBI:46848)
Manual XrefsDatabases
LSM-4860LINCS