5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-N-(3-methylsulfanylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-N-(3-methylsulfanylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-N-(3-methylsulfanylpropyl)-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-N-[3-(methylthio)propyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-N-(3-methylsulfanylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-[3-(methylthio)propyl]nicotinamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCCSC

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCCSC

InChI

InChI=1S/C21H33N3O3S/c1-16(2)13-23-14-17(20(26)22-9-8-12-28-3)19(25)18(15-23)21(27)24-10-6-4-5-7-11-24/h14-16H,4-13H2,1-3H3,(H,22,26)