N-cyclopropyl-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-(2-hydroxy-3-phenoxy-propyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[(2-hydroxy-3-phenoxypropyl)thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-(2-hydroxy-3-phenoxypropyl)sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[(2-hydroxy-3-phenoxy-propyl)thio]cinchoninamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C22H22N2O3S/c25-16(13-27-17-6-2-1-3-7-17)14-28-21-12-19(22(26)23-15-10-11-15)18-8-4-5-9-20(18)24-21/h1-9,12,15-16,25H,10-11,13-14H2,(H,23,26)