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

Systemtic Name: N-(2-diethylaminoethyl)-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(2-diethylaminoethyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-(2-diethylaminoethyl)-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-(2-diethylaminoethyl)-2-[3-(methylthio)anilino]cinchoninamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H28N4OS/c1-4-27(5-2)14-13-24-23(28)20-16-22(26-21-12-7-6-11-19(20)21)25-17-9-8-10-18(15-17)29-3/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,28)(H,25,26)