N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-ethyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: 2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-2-23-16-6-4-3-5-15(16)19(10-21(23)25)28-12-20(24)22-11-14-7-8-17-18(9-14)27-13-26-17/h3-10H,2,11-13H2,1H3,(H,22,24)