CHEBI:82072 - Buthiobate

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ChEBI Name Buthiobate
ChEBI ID CHEBI:82072
Stars This entity has been manually annotated by a third party.
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Formula C21H28N2S2
Net Charge 0
Average Mass 372.59000
Monoisotopic Mass 372.16939
InChI InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+
InChIKey ZZVVDIVWGXTDRQ-BSYVCWPDSA-N
SMILES CCCCS\C(SCc1ccc(cc1)C(C)(C)C)=N/c1cccnc1
ChEBI Ontology
Outgoing Buthiobate (CHEBI:82072) is a alkylbenzene (CHEBI:38976)
Manual Xref Database
C18930 KEGG COMPOUND
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Registry Number Type Source
51308-54-4 CAS Registry Number KEGG COMPOUND