N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[7-methoxy-4-(3-pyridinyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-pyridin-3-ylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]thio]acetamide Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C24H19N3O4S/c1-29-17-5-6-18-19(15-3-2-8-25-12-15)11-24(27-20(18)10-17)32-13-23(28)26-16-4-7-21-22(9-16)31-14-30-21/h2-12H,13-14H2,1H3,(H,26,28)