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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O4S/c1-23-16-7-3-2-6-15(16)19(10-21(23)25)28-13-20(24)22-11-14-12-26-17-8-4-5-9-18(17)27-14/h2-10,14H,11-13H2,1H3,(H,22,24)