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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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