N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O3S/c1-14-6-5-7-17-15(2)10-21(24-22(14)17)28-13-20(25)23-11-16-12-26-18-8-3-4-9-19(18)27-16/h3-10,16H,11-13H2,1-2H3,(H,23,25)/t16-/m0/s1