N-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[(4-methyl-2-quinolyl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O4S/c1-13-10-20(22-15-7-3-2-6-14(13)15)28-12-19(24)23-21(25)18-11-26-16-8-4-5-9-17(16)27-18/h2-10,18H,11-12H2,1H3,(H,23,24,25)