S-[3-(4-methylpiperazin-1-yl)-2-[[1-(4-methylpiperazin-1-yl)-3-piperidin-1-ylcarbonylsulfanyl-propan-2-yl]disulfanyl]propyl] piperidine-1-carbothioate

Systemtic Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-(4-methylpiperazin-1-yl)-3-piperidin-1-ylcarbonylsulfanyl-propan-2-yl]disulfanyl]propyl] piperidine-1-carbothioate Openeye Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-[(4-methylpiperazin-1-yl)methyl]-2-(piperidine-1-carbonylsulfanyl)ethyl]disulfanyl]propyl] piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid S-[3-(4-methyl-1-piperazinyl)-2-[[1-(4-methyl-1-piperazinyl)-3-[[oxo(1-piperidinyl)methyl]thio]propan-2-yl]disulfanyl]propyl] ester IUPAC Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-(4-methylpiperazin-1-yl)-3-(piperidine-1-carbonylsulfanyl)propan-2-yl]disulfanyl]propyl] piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid S-[3-(4-methylpiperazino)-2-[[1-[(4-methylpiperazino)methyl]-2-(piperidine-1-carbonylthio)ethyl]disulfanyl]propyl] ester Formula: C28H52N6O2S4 MolecularWeight: 633.01148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CSC(=O)N2CCCCC2)SSC(CN3CCN(CC3)C)CSC(=O)N4CCCCC4

Isomeric SMILES

CN1CCN(CC1)CC(CSC(=O)N2CCCCC2)SSC(CN3CCN(CC3)C)CSC(=O)N4CCCCC4

InChI

InChI=1S/C28H52N6O2S4/c1-29-13-17-31(18-14-29)21-25(23-37-27(35)33-9-5-3-6-10-33)39-40-26(22-32-19-15-30(2)16-20-32)24-38-28(36)34-11-7-4-8-12-34/h25-26H,3-24H2,1-2H3