[1-oxidanylidene-1-[6-(2-pyrrol-1-ylcarbothioylsulfanylpropanoylamino)hexylamino]propan-2-yl] pyrrole-1-carbodithioate

Systemtic Name: [1-oxidanylidene-1-[6-(2-pyrrol-1-ylcarbothioylsulfanylpropanoylamino)hexylamino]propan-2-yl] pyrrole-1-carbodithioate Openeye Name: [1-methyl-2-oxo-2-[6-[2-(pyrrole-1-carbothioylsulfanyl)propanoylamino]hexylamino]ethyl] pyrrole-1-carbodithioate CAS Name: 1-pyrrolecarbodithioic acid [1-oxo-1-[6-[[1-oxo-2-[[1-pyrrolyl(sulfanylidene)methyl]thio]propyl]amino]hexylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[6-[2-(pyrrole-1-carbothioylsulfanyl)propanoylamino]hexylamino]propan-2-yl] pyrrole-1-carbodithioate Traditional Name: pyrrole-1-carbodithioic acid [2-keto-1-methyl-2-[6-[2-(pyrrole-1-carbothioylthio)propanoylamino]hexylamino]ethyl] ester Formula: C22H30N4O2S4 MolecularWeight: 510.7592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCCNC(=O)C(C)SC(=S)N1C=CC=C1)SC(=S)N2C=CC=C2

Isomeric SMILES

CC(C(=O)NCCCCCCNC(=O)C(C)SC(=S)N1C=CC=C1)SC(=S)N2C=CC=C2

InChI

InChI=1S/C22H30N4O2S4/c1-17(31-21(29)25-13-7-8-14-25)19(27)23-11-5-3-4-6-12-24-20(28)18(2)32-22(30)26-15-9-10-16-26/h7-10,13-18H,3-6,11-12H2,1-2H3,(H,23,27)(H,24,28)