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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O3S/c1-2-13-3-5-17-14(7-13)8-15(10-22)21(24-17)28-11-20(25)23-16-4-6-18-19(9-16)27-12-26-18/h3-9H,2,11-12H2,1H3,(H,23,25)