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

Systemtic Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Openeye Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide CAS Name: 3-[2-(methylthio)ethyl]-2-phenyl-N-(1-phenylethyl)-4-quinolinecarboxamide IUPAC Name: 3-(2-methylsulfanylethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide Traditional Name: 3-[2-(methylthio)ethyl]-2-phenyl-N-(1-phenylethyl)cinchoninamide Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2OS/c1-19(20-11-5-3-6-12-20)28-27(30)25-22-15-9-10-16-24(22)29-26(23(25)17-18-31-2)21-13-7-4-8-14-21/h3-16,19H,17-18H2,1-2H3,(H,28,30)