2-(5,7-dimethoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(5,7-dimethoxy-4-phenyl-quinolin-2-yl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(5,7-dimethoxy-4-phenyl-2-quinolinyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(5,7-dimethoxy-4-phenylquinolin-2-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(5,7-dimethoxy-4-phenyl-2-quinolyl)thio]-N-propargyl-acetamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=CC(=NC2=C1)SCC(=O)NCC#C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C2C(=CC(=NC2=C1)SCC(=O)NCC#C)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O3S/c1-4-10-23-20(25)14-28-21-13-17(15-8-6-5-7-9-15)22-18(24-21)11-16(26-2)12-19(22)27-3/h1,5-9,11-13H,10,14H2,2-3H3,(H,23,25)