N-[2-(3-methylphenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(3-methylphenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: 2-(3-methylsulfanylanilino)-N-[2-(m-tolyl)ethyl]quinoline-4-carboxamide CAS Name: N-[2-(3-methylphenyl)ethyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[2-(3-methylphenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-[2-(m-tolyl)ethyl]cinchoninamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C26H25N3OS/c1-18-7-5-8-19(15-18)13-14-27-26(30)23-17-25(29-24-12-4-3-11-22(23)24)28-20-9-6-10-21(16-20)31-2/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)