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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,6,7-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,6,7-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-piperonyl-2-[(3,6,7-trimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC2=CC(=C(C=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C22H22N2O3S/c1-13-6-17-7-15(3)22(24-18(17)8-14(13)2)28-11-21(25)23-10-16-4-5-19-20(9-16)27-12-26-19/h4-9H,10-12H2,1-3H3,(H,23,25)