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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-8-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-8-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O3S/c1-13-3-2-4-15-8-16(9-22)21(24-20(13)15)28-11-19(25)23-10-14-5-6-17-18(7-14)27-12-26-17/h2-8H,10-12H2,1H3,(H,23,25)