N-(1,3-benzodioxol-5-ylmethyl)-2-(3,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N2O3S/c1-13-4-3-5-16-8-14(2)21(23-20(13)16)27-11-19(24)22-10-15-6-7-17-18(9-15)26-12-25-17/h3-9H,10-12H2,1-2H3,(H,22,24)