N-(5-fluoranyl-2-methyl-phenyl)-2-[2-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-2-[2-[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-2-[2-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(5-fluoro-2-methylphenyl)-2-[[2-[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[2-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-2-[[2-keto-2-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethyl]thio]acetamide Formula: C25H25FN4O4S MolecularWeight: 496.553803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C25H25FN4O4S/c1-16-8-9-17(26)12-20(16)28-23(31)14-35-15-24(32)29-10-5-11-30(29)25(33)21-13-22(34-2)18-6-3-4-7-19(18)27-21/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3,(H,28,31)