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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-phenoxyethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-phenoxyacetyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[(1-oxo-2-phenoxyethyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-phenoxyacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-phenoxyacetyl)amino]-4-pyridyl]methylthio]nicotinamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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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)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C28H26N4O3S/c1-19-13-20(2)15-22(14-19)31-27(34)24-9-6-11-30-28(24)36-18-21-10-12-29-25(16-21)32-26(33)17-35-23-7-4-3-5-8-23/h3-16H,17-18H2,1-2H3,(H,31,34)(H,29,32,33)