N-cyclopropyl-2-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[3-(4-acetylphenoxy)-2-hydroxy-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[3-(4-acetylphenoxy)-2-hydroxypropyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[3-(4-acetylphenoxy)-2-hydroxypropyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[3-(4-acetylphenoxy)-2-hydroxy-propyl]thio]-N-cyclopropyl-cinchoninamide Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

InChI

InChI=1S/C24H24N2O4S/c1-15(27)16-6-10-19(11-7-16)30-13-18(28)14-31-23-12-21(24(29)25-17-8-9-17)20-4-2-3-5-22(20)26-23/h2-7,10-12,17-18,28H,8-9,13-14H2,1H3,(H,25,29)