N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxidanylidene-1H-pyridin-3-yl]heptanamide

Systemtic Name: N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxidanylidene-1H-pyridin-3-yl]heptanamide Openeye Name: N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]heptanamide CAS Name: N-[4-[(3,5-dimethylphenyl)thio]-5-methyl-2-oxo-1H-pyridin-3-yl]heptanamide IUPAC Name: N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]heptanamide Traditional Name: N-[4-[(3,5-dimethylphenyl)thio]-2-keto-5-methyl-1H-pyridin-3-yl]enanthamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=CNC1=O)C)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=CNC1=O)C)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H28N2O2S/c1-5-6-7-8-9-18(24)23-19-20(16(4)13-22-21(19)25)26-17-11-14(2)10-15(3)12-17/h10-13H,5-9H2,1-4H3,(H,22,25)(H,23,24)