N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methyl-1-piperazinyl)ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazino)ethyl]acetamide Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)CSCC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

InChI

InChI=1S/C26H36N4OS/c1-28-13-15-30(16-14-28)25(23-10-11-24-22(17-23)9-6-12-29(24)2)18-27-26(31)20-32-19-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,25H,6,9,12-16,18-20H2,1-2H3,(H,27,31)