3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Openeye Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide CAS Name: 3-[2-(methylthio)ethyl]-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide Traditional Name: 3-[2-(methylthio)ethyl]-2-phenyl-N-(1-phenylpropyl)cinchoninamide Formula: C28H28N2OS MolecularWeight: 440.59972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CCSC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CCSC

InChI

InChI=1S/C28H28N2OS/c1-3-24(20-12-6-4-7-13-20)30-28(31)26-22-16-10-11-17-25(22)29-27(23(26)18-19-32-2)21-14-8-5-9-15-21/h4-17,24H,3,18-19H2,1-2H3,(H,30,31)