N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O3S/c1-2-14-3-5-18-16(7-14)9-17(10-23)22(25-18)29-12-21(26)24-11-15-4-6-19-20(8-15)28-13-27-19/h3-9H,2,11-13H2,1H3,(H,24,26)