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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(3-methoxypropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(3-methoxypropanoylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[(3-methoxy-1-oxopropyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(3-methoxypropanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(3-methoxypropanoylamino)-4-pyridyl]methylthio]nicotinamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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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)CCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-16-11-17(2)13-19(12-16)27-23(30)20-5-4-8-26-24(20)32-15-18-6-9-25-21(14-18)28-22(29)7-10-31-3/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,27,30)(H,25,28,29)