N-(3,5-dimethylphenyl)-2-[[2-(2,2-dimethylpropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2,2-dimethylpropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(2,2-dimethylpropanoylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-pyridinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(2,2-dimethylpropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(pivaloylamino)-4-pyridyl]methylthio]nicotinamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H28N4O2S/c1-16-11-17(2)13-19(12-16)28-22(30)20-7-6-9-27-23(20)32-15-18-8-10-26-21(14-18)29-24(31)25(3,4)5/h6-14H,15H2,1-5H3,(H,28,30)(H,26,29,31)