CHEBI:92132 - N-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
ChEBI ID CHEBI:92132
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H19F3N4S
Net Charge 0
Average Mass 416.464
Monoisotopic Mass 416.12825
InChI InChI=1S/C21H19F3N4S/c22-21(23,24)16-5-3-6-17(14-16)27-10-12-28(13-11-27)20(29)26-19-18-7-2-1-4-15(18)8-9-25-19/h1-9,14H,10-13H2,(H,25,26,29)
InChIKey FMGPXRFURDJMGM-UHFFFAOYSA-N
SMILES C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=NC=CC4=CC=CC=C43
ChEBI Ontology
Outgoing N-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide (CHEBI:92132) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-2147 LINCS
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