N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxyisoquinolin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxyisoquinolin-1-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-1-isoquinolyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-1-isoquinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxyisoquinolin-1-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methoxy-1-isoquinolyl)thio]acetamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC2=C1C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18N2O4S/c1-24-16-4-2-3-15-14(16)7-8-21-20(15)27-12-19(23)22-13-5-6-17-18(11-13)26-10-9-25-17/h2-8,11H,9-10,12H2,1H3,(H,22,23)