CHEBI:105805 - 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile ChEBI ID CHEBI:105805 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H20N4O2S Net Charge 0 Average Mass 404.487 Monoisotopic Mass 404.13070 InChI InChI=1S/C22H20N4O2S/c23-12-17(22-24-18-3-1-2-4-21(18)29-22)14-26-9-7-25(8-10-26)13-16-5-6-19-20(11-16)28-15-27-19/h1-6,11,14H,7-10,13,15H2 InChIKey BQPBTSDVGARJHD-UHFFFAOYSA-N SMILES C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)C4=NC5=CC=CC=C5S4 ChEBI Ontology Outgoing 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile (CHEBI:105805) is a benzothiazoles (CHEBI:37947) Manual Xref Database LSM-17166 LINCS View more database links