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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-7-methyl-2-quinolyl)thio]acetamide Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H15N3O3S/c1-12-2-3-13-7-14(9-21)20(23-16(13)6-12)27-10-19(24)22-15-4-5-17-18(8-15)26-11-25-17/h2-8H,10-11H2,1H3,(H,22,24)