N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[7-methoxy-4-(3-pyridinyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methoxy-4-pyridin-3-ylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]thio]acetamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)OCCO4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CN=CC=C5

InChI

InChI=1S/C25H21N3O4S/c1-30-18-5-6-19-20(16-3-2-8-26-14-16)13-25(28-21(19)12-18)33-15-24(29)27-17-4-7-22-23(11-17)32-10-9-31-22/h2-8,11-14H,9-10,15H2,1H3,(H,27,29)