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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-6-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)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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