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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-2-(methylthio)benzamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC=CC=C1SC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C(CNC(=O)C1=CC=CC=C1SC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2OS/c1-16(2)20(24-13-12-17-8-4-5-9-18(17)15-24)14-23-22(25)19-10-6-7-11-21(19)26-3/h4-11,16,20H,12-15H2,1-3H3,(H,23,25)