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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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