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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-keto-1-methyl-4-quinolyl)thio]-N-piperonyl-acetamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O4S/c1-22-15-5-3-2-4-14(15)18(9-20(22)24)27-11-19(23)21-10-13-6-7-16-17(8-13)26-12-25-16/h2-9H,10-12H2,1H3,(H,21,23)