CHEBI:105889 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide
ChEBI ID CHEBI:105889
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H19N3O2S
Net Charge 0
Average Mass 329.418
Monoisotopic Mass 329.11980
InChI InChI=1S/C17H19N3O2S/c1-10(2)7-11-8-14(20-22-11)16(21)19-17-13(9-18)12-5-3-4-6-15(12)23-17/h8,10H,3-7H2,1-2H3,(H,19,21)
InChIKey ZRTRXRDRAVYFEH-UHFFFAOYSA-N
SMILES CC(C)CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N
ChEBI Ontology
Outgoing N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide (CHEBI:105889) is a aromatic amide (CHEBI:62733)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide (CHEBI:105889) is a heteroarene (CHEBI:33833)
Manual Xref Database
LSM-17250 LINCS
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