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

Systemtic Name: 2-[(3-methylsulfanylphenyl)amino]-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]quinoline-4-carboxamide Openeye Name: N-[3-(4-benzyl-1-piperidyl)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: 2-[3-(methylthio)anilino]-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-4-quinolinecarboxamide IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[3-(4-benzylpiperidino)propyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C32H36N4OS MolecularWeight: 524.71944

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H36N4OS/c1-38-27-12-7-11-26(22-27)34-31-23-29(28-13-5-6-14-30(28)35-31)32(37)33-17-8-18-36-19-15-25(16-20-36)21-24-9-3-2-4-10-24/h2-7,9-14,22-23,25H,8,15-21H2,1H3,(H,33,37)(H,34,35)