N-[2-(4-fluorophenyl)ethyl]-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[[7-methoxy-4-(3-pyridinyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-(7-methoxy-4-pyridin-3-ylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]thio]acetamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCCC3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCCC3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C25H22FN3O2S/c1-31-20-8-9-21-22(18-3-2-11-27-15-18)14-25(29-23(21)13-20)32-16-24(30)28-12-10-17-4-6-19(26)7-5-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,28,30)