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CHEBI:93168 - 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone

ChEBI IDCHEBI:93168
ChEBI Name2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone
Stars
DefinitionA member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-imine substituted by a 2-(4-methylphenyl)-2-oxoethyl group at position 3.
Last Modified14 March 2025
DownloadsMolfile
FormulaC16H18N2OS
Net Charge0
Average Mass286.400
Monoisotopic Mass286.11398
SMILESCc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1
InChIInChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17/h6-9,17H,2-5,10H2,1H3
InChIKeyOLTZHXYLLRJLST-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is a aromatic ketone (CHEBI:76224)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is a benzothiazoles (CHEBI:37947)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is a imine (CHEBI:24783)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is a toluenes (CHEBI:27024)
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168) is conjugate base of 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675)
Incoming Relation(s)
3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675) is conjugate acid of 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone (CHEBI:93168)
IUPAC Name 
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone
Manual XrefsDatabases
LSM-3485LINCS
Registry NumbersSources
CAS:206983-57-5ChEBI