N-[2-(azepan-1-yl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCCC4

InChI

InChI=1S/C25H30N4OS/c1-31-20-10-8-9-19(17-20)27-24-18-22(21-11-4-5-12-23(21)28-24)25(30)26-13-16-29-14-6-2-3-7-15-29/h4-5,8-12,17-18H,2-3,6-7,13-16H2,1H3,(H,26,30)(H,27,28)