CHEBI:3218 - 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one

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ChEBI Name 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
ChEBI ID CHEBI:3218
ChEBI ASCII Name 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H23N3OS
Net Charge 0
Average Mass 305.43800
Monoisotopic Mass 305.15618
InChI InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey PRLVTUNWOQKEAI-UHFFFAOYSA-N
SMILES CC(C)N1C(=O)N(CSC1=NC(C)(C)C)c1ccccc1
ChEBI Ontology
Outgoing 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (CHEBI:3218) is a thiadiazinane (CHEBI:38781)
2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (CHEBI:3218) is a ureas (CHEBI:47857)
Incoming (E)-buprofezin (CHEBI:39380) is a 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (CHEBI:3218)
buprofezin (CHEBI:39381) is a 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (CHEBI:3218)
IUPAC Name
2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
Synonyms Sources
2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one IUPAC
Buprofezin KEGG COMPOUND
buprofezin ChEBI
Manual Xref Database
C10912 KEGG COMPOUND
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Registry Numbers Types Sources
1010518 Beilstein Registry Number ChemIDplus
69327-76-0 CAS Registry Number ChemIDplus
Last Modified
28 November 2016
General Comment
2016-11-26 The name "buprofezin" was originally approved for a mixture of (E)- and (Z)-isomers [69327-76-0], but in 2008 the sponsor determined that the substance contains only the (Z)-isomer and requested that the definition be changed.