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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetamide Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H15N3O4S/c1-25-15-4-2-12-6-13(9-21)20(23-16(12)8-15)28-10-19(24)22-14-3-5-17-18(7-14)27-11-26-17/h2-8H,10-11H2,1H3,(H,22,24)