CHEBI:92220 - N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide
ChEBI ID CHEBI:92220
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H20F3N5S
Net Charge 0
Average Mass 395.447
Monoisotopic Mass 395.13915
InChI InChI=1S/C18H20F3N5S/c1-12-9-13(2)23-15(10-12)24-17(27)26-7-5-25(6-8-26)16-4-3-14(11-22-16)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H,23,24,27)
InChIKey HHKPPMSUPATMKP-UHFFFAOYSA-N
SMILES CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C
ChEBI Ontology
Outgoing N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide (CHEBI:92220) is a piperazines (CHEBI:26144)
N-(4,6-dimethyl-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide (CHEBI:92220) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-2265 LINCS
View more database links