N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-8-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-8-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-ethyl-8-methyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3S/c1-3-16-10-17-6-4-5-14(2)21(17)24-22(16)28-12-20(25)23-11-15-7-8-18-19(9-15)27-13-26-18/h4-10H,3,11-13H2,1-2H3,(H,23,25)