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

Systemtic Name: S-[3-(azepin-1-yl)-2-[[1-(azepin-1-yl)-3-pyrrolidin-1-ylcarbonylsulfanyl-propan-2-yl]disulfanyl]propyl] pyrrolidine-1-carbothioate Openeye Name: S-[3-(azepin-1-yl)-2-[[1-(azepin-1-ylmethyl)-2-(pyrrolidine-1-carbonylsulfanyl)ethyl]disulfanyl]propyl] pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid S-[3-(1-azepinyl)-2-[[1-(1-azepinyl)-3-[[oxo(1-pyrrolidinyl)methyl]thio]propan-2-yl]disulfanyl]propyl] ester IUPAC Name: S-[3-(azepin-1-yl)-2-[[1-(azepin-1-yl)-3-(pyrrolidine-1-carbonylsulfanyl)propan-2-yl]disulfanyl]propyl] pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid S-[3-(azepin-1-yl)-2-[[1-(azepin-1-ylmethyl)-2-(pyrrolidine-1-carbonylthio)ethyl]disulfanyl]propyl] ester Formula: C28H38N4O2S4 MolecularWeight: 590.88692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)SCC(CN2C=CC=CC=C2)SSC(CN3C=CC=CC=C3)CSC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C(=O)SCC(CN2C=CC=CC=C2)SSC(CN3C=CC=CC=C3)CSC(=O)N4CCCC4

InChI

InChI=1S/C28H38N4O2S4/c33-27(31-17-9-10-18-31)35-23-25(21-29-13-5-1-2-6-14-29)37-38-26(22-30-15-7-3-4-8-16-30)24-36-28(34)32-19-11-12-20-32/h1-8,13-16,25-26H,9-12,17-24H2