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

Systemtic Name: N-cyclopropyl-2-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]thio]cinchoninamide Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

InChI

InChI=1S/C23H24N2O4S/c1-28-17-8-10-18(11-9-17)29-13-16(26)14-30-22-12-20(23(27)24-15-6-7-15)19-4-2-3-5-21(19)25-22/h2-5,8-12,15-16,26H,6-7,13-14H2,1H3,(H,24,27)