N-[(4-methylphenyl)methyl]-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-N-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]-N-(4-methylbenzyl)nicotinamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O2S/c1-18-9-11-20(12-10-18)16-27-23(29)21-8-5-14-26-24(21)30-17-22(28)25-15-13-19-6-3-2-4-7-19/h2-12,14H,13,15-17H2,1H3,(H,25,28)(H,27,29)