N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-isoamyl-2-keto-3,4-dihydroquinolin-6-yl)-2-(methylthio)nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H25N3O2S/c1-14(2)10-12-24-18-8-7-16(13-15(18)6-9-19(24)25)23-20(26)17-5-4-11-22-21(17)27-3/h4-5,7-8,11,13-14H,6,9-10,12H2,1-3H3,(H,23,26)