2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-[isobutyl(methyl)amino]phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-[methyl(2-methylpropyl)amino]phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[2-[isobutyl(methyl)amino]benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC(C)CN(C)C1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C23H26N4OS/c1-17(2)15-27(3)21-9-5-4-7-18(21)16-29-23-20(8-6-12-25-23)22(28)26-19-10-13-24-14-11-19/h4-14,17H,15-16H2,1-3H3,(H,24,26,28)