N-cyclopropyl-2-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]thio]cinchoninamide Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)O

InChI

InChI=1S/C24H26N2O3S/c1-15-6-5-7-16(2)23(15)29-13-18(27)14-30-22-12-20(24(28)25-17-10-11-17)19-8-3-4-9-21(19)26-22/h3-9,12,17-18,27H,10-11,13-14H2,1-2H3,(H,25,28)