2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(isobutyrylamino)ethyl]nicotinamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C(C)C)C

InChI

InChI=1S/C20H25N3O2S/c1-13(2)18(24)21-10-11-22-19(25)17-6-5-9-23-20(17)26-16-8-7-14(3)15(4)12-16/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)(H,22,25)