CHEBI:107531 - 1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea

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ChEBI Name 1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
ChEBI ID CHEBI:107531
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H19N3O2S
Net Charge 0
Average Mass 341.429
Monoisotopic Mass 341.11980
InChI InChI=1S/C18H19N3O2S/c1-11-6-12(2)8-14(7-11)20-18(23)19-13-4-5-16-15(9-13)21(3)17(22)10-24-16/h4-9H,10H2,1-3H3,(H2,19,20,23)
InChIKey XUIAATHNEQWORS-UHFFFAOYSA-N
SMILES CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)SCC(=O)N3C)C
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via benzothiazine )
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ChEBI Ontology
Outgoing 1-(3,5-dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea (CHEBI:107531) is a benzothiazine (CHEBI:46899)
Manual Xref Database
LSM-18887 LINCS
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