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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O2S/c1-3-32-17-12-26-25(30)22-18-24(27-23-7-5-4-6-21(22)23)29-15-13-28(14-16-29)19-8-10-20(31-2)11-9-19/h4-11,18H,3,12-17H2,1-2H3,(H,26,30)