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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-methylpropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(2-methylpropanoylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-methyl-1-oxopropyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(2-methylpropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(isobutyrylamino)-4-pyridyl]methylthio]nicotinamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S/c1-15(2)22(29)28-21-13-18(7-9-25-21)14-31-24-20(6-5-8-26-24)23(30)27-19-11-16(3)10-17(4)12-19/h5-13,15H,14H2,1-4H3,(H,27,30)(H,25,28,29)