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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-(methylthio)nicotinamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=C(N=CC=C1)SC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C(CNC(=O)C1=C(N=CC=C1)SC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3OS/c1-15(2)19(24-12-10-16-7-4-5-8-17(16)14-24)13-23-20(25)18-9-6-11-22-21(18)26-3/h4-9,11,15,19H,10,12-14H2,1-3H3,(H,23,25)