N-[(2-methoxyphenyl)methyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: 2-[3-(methylthio)anilino]-N-o-anisyl-cinchoninamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H23N3O2S/c1-30-23-13-6-3-8-17(23)16-26-25(29)21-15-24(28-22-12-5-4-11-20(21)22)27-18-9-7-10-19(14-18)31-2/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)