N-(3-methylsulfanylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-2-(4-phenylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-phenylphenyl)cinchoninamide Formula: C29H22N2OS MolecularWeight: 446.56278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N2OS/c1-33-24-11-7-10-23(18-24)30-29(32)26-19-28(31-27-13-6-5-12-25(26)27)22-16-14-21(15-17-22)20-8-3-2-4-9-20/h2-19H,1H3,(H,30,32)