N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(methylthio)nicotinamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H23N3O2S/c1-13(2)20(25)23-10-8-14-6-7-16(11-15(14)12-23)22-18(24)17-5-4-9-21-19(17)26-3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,22,24)