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

Systemtic Name: N-(2-ethylsulfanylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethylsulfanylethyl)quinoline-4-carboxamide CAS Name: N-[2-(ethylthio)ethyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethylsulfanylethyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-[2-(ethylthio)ethyl]cinchoninamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-2-31-17-12-26-25(30)22-18-24(27-23-11-7-6-10-21(22)23)29-15-13-28(14-16-29)19-20-8-4-3-5-9-20/h3-11,18H,2,12-17,19H2,1H3,(H,26,30)