N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-7-methoxy-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H17N3O4S/c1-26-16-4-3-14-7-15(9-22)21(24-17(14)8-16)29-11-20(25)23-10-13-2-5-18-19(6-13)28-12-27-18/h2-8H,10-12H2,1H3,(H,23,25)