2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylsulfanylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylsulfanylpropyl)quinoline-4-carboxamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylsulfanylpropyl)quinoline-4-carboxamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-N-[3-(methylthio)propyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylsulfanylpropyl)quinoline-4-carboxamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-N-[3-(methylthio)propyl]cinchoninamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCSC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCCSC

InChI

InChI=1S/C25H30N4O2S/c1-31-20-10-8-19(9-11-20)28-13-15-29(16-14-28)24-18-22(25(30)26-12-5-17-32-2)21-6-3-4-7-23(21)27-24/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,26,30)