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

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazino)ethyl]-3-(phenylthio)propionamide Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)CCSC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)CCSC2=CC=CC=C2)C3=CC4=C(C=C3)N(CCC4)C

InChI

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