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

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-(phenylmethyl)quinoline-4-carboxamide Openeye Name: N-benzyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-(phenylmethyl)-4-quinolinecarboxamide IUPAC Name: N-benzyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-benzyl-2-[3-(methylthio)anilino]cinchoninamide Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS/c1-29-19-11-7-10-18(14-19)26-23-15-21(20-12-5-6-13-22(20)27-23)24(28)25-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27)