N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]acetamide Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C25H32N2O3S/c1-18(28)20-9-10-23(30-4)22(13-20)15-31-16-24(29)26-17-25(2,3)27-12-11-19-7-5-6-8-21(19)14-27/h5-10,13H,11-12,14-17H2,1-4H3,(H,26,29)