2-(5-methoxyisoquinolin-1-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(5-methoxyisoquinolin-1-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[(5-methoxy-1-isoquinolyl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(5-methoxy-1-isoquinolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(5-methoxyisoquinolin-1-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(5-methoxy-1-isoquinolyl)thio]-N-phenethyl-acetamide Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN=C2SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC2=C1C=CN=C2SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2S/c1-24-18-9-5-8-17-16(18)11-13-22-20(17)25-14-19(23)21-12-10-15-6-3-2-4-7-15/h2-9,11,13H,10,12,14H2,1H3,(H,21,23)