N-(1,3-benzodioxol-5-yl)-2-(5,8-dimethoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5,8-dimethoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5,8-dimethoxy-4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5,8-dimethoxy-4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5,8-dimethoxy-4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5,8-dimethoxy-4-methyl-2-quinolyl)thio]acetamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5S/c1-12-8-19(23-21-16(26-3)7-6-15(25-2)20(12)21)29-10-18(24)22-13-4-5-14-17(9-13)28-11-27-14/h4-9H,10-11H2,1-3H3,(H,22,24)