2-[[2-(2-piperazin-1-ylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-piperazin-1-ylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-piperazin-1-ylacetyl)amino]-4-pyridyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[[2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]-4-pyridinyl]methylthio]-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-piperazin-1-ylacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[2-[(2-piperazinoacetyl)amino]-4-pyridyl]methylthio]-N-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C25H25F3N6O3S MolecularWeight: 546.56461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)NC2=NC=CC(=C2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1)CC(=O)NC2=NC=CC(=C2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H25F3N6O3S/c26-25(27,28)37-19-5-3-18(4-6-19)32-23(36)20-2-1-8-31-24(20)38-16-17-7-9-30-21(14-17)33-22(35)15-34-12-10-29-11-13-34/h1-9,14,29H,10-13,15-16H2,(H,32,36)(H,30,33,35)