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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6,7-dimethoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6,7-dimethoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(6,7-dimethoxy-3-methyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(N=C2C=C(C(=CC2=C1)OC)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5S/c1-13-6-15-8-18(26-2)19(27-3)9-16(15)24-22(13)30-11-21(25)23-10-14-4-5-17-20(7-14)29-12-28-17/h4-9H,10-12H2,1-3H3,(H,23,25)