N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-(3-methyl-1-piperidyl)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[3-(3-methyl-1-piperidinyl)propyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[3-(3-methylpiperidin-1-yl)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(3-methylpiperidino)propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1CCCN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C26H32N4OS/c1-19-8-6-14-30(18-19)15-7-13-27-26(31)23-17-25(29-24-12-4-3-11-22(23)24)28-20-9-5-10-21(16-20)32-2/h3-5,9-12,16-17,19H,6-8,13-15,18H2,1-2H3,(H,27,31)(H,28,29)