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

Systemtic Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-(4-methylpiperazin-1-yl)-3-pyrrolidin-1-ylcarbonylsulfanyl-propan-2-yl]disulfanyl]propyl] pyrrolidine-1-carbothioate Openeye Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-[(4-methylpiperazin-1-yl)methyl]-2-(pyrrolidine-1-carbonylsulfanyl)ethyl]disulfanyl]propyl] pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid S-[3-(4-methyl-1-piperazinyl)-2-[[1-(4-methyl-1-piperazinyl)-3-[[oxo(1-pyrrolidinyl)methyl]thio]propan-2-yl]disulfanyl]propyl] ester IUPAC Name: S-[3-(4-methylpiperazin-1-yl)-2-[[1-(4-methylpiperazin-1-yl)-3-(pyrrolidine-1-carbonylsulfanyl)propan-2-yl]disulfanyl]propyl] pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid S-[3-(4-methylpiperazino)-2-[[1-[(4-methylpiperazino)methyl]-2-(pyrrolidine-1-carbonylthio)ethyl]disulfanyl]propyl] ester Formula: C26H48N6O2S4 MolecularWeight: 604.95832

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CSC(=O)N2CCCC2)SSC(CN3CCN(CC3)C)CSC(=O)N4CCCC4

Isomeric SMILES

CN1CCN(CC1)CC(CSC(=O)N2CCCC2)SSC(CN3CCN(CC3)C)CSC(=O)N4CCCC4

InChI

InChI=1S/C26H48N6O2S4/c1-27-11-15-29(16-12-27)19-23(21-35-25(33)31-7-3-4-8-31)37-38-24(20-30-17-13-28(2)14-18-30)22-36-26(34)32-9-5-6-10-32/h23-24H,3-22H2,1-2H3