N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(4-methylsulfanylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-(4-methylsulfanylphenyl)quinoline-4-carboxamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2-(4-methylsulfanylphenyl)quinoline-4-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(methylthio)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(4-methylsulfanylphenyl)quinoline-4-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2-[4-(methylthio)phenyl]cinchoninamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C28H25N3O2S/c1-34-21-12-10-18(11-13-21)27-15-24(23-7-3-5-9-26(23)31-27)28(33)30-20(17-32)14-19-16-29-25-8-4-2-6-22(19)25/h2-13,15-16,20,29,32H,14,17H2,1H3,(H,30,33)/t20-/m1/s1