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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-methoxyethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-methoxyacetyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-methoxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-methoxyacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-methoxyacetyl)amino]-4-pyridyl]methylthio]nicotinamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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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)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-15-9-16(2)11-18(10-15)26-22(29)19-5-4-7-25-23(19)31-14-17-6-8-24-20(12-17)27-21(28)13-30-3/h4-12H,13-14H2,1-3H3,(H,26,29)(H,24,27,28)