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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethoxy-3-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-3-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-3-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(6-ethoxy-3-methyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H22N2O4S/c1-3-26-17-5-6-18-16(10-17)8-14(2)22(24-18)29-12-21(25)23-11-15-4-7-19-20(9-15)28-13-27-19/h4-10H,3,11-13H2,1-2H3,(H,23,25)