2-[(2-piperazin-1-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-piperazin-1-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[[(2-piperazin-1-ylacetyl)amino]-(4-pyridyl)methyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[[[[1-oxo-2-(1-piperazinyl)ethyl]amino]-pyridin-4-ylmethyl]thio]-N-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[[(2-piperazin-1-ylacetyl)amino]-pyridin-4-ylmethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[[(2-piperazinoacetyl)amino]-(4-pyridyl)methyl]thio]-N-[4-(trifluoromethyl)phenyl]nicotinamide Formula: C25H25F3N6O2S MolecularWeight: 530.56521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)NC(C2=CC=NC=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)CC(=O)NC(C2=CC=NC=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H25F3N6O2S/c26-25(27,28)18-3-5-19(6-4-18)32-22(36)20-2-1-9-31-24(20)37-23(17-7-10-29-11-8-17)33-21(35)16-34-14-12-30-13-15-34/h1-11,23,30H,12-16H2,(H,32,36)(H,33,35)