N-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)thio]acetamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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