4-methyl-3-[(4-methylpiperazin-1-yl)sulfanylcarbonylsulfanylmethyl]-4-oxidanyl-1-[(3-propylphenyl)methyl]piperazine-1,4-diium-1-carbodithioic acid

Systemtic Name: 4-methyl-3-[(4-methylpiperazin-1-yl)sulfanylcarbonylsulfanylmethyl]-4-oxidanyl-1-[(3-propylphenyl)methyl]piperazine-1,4-diium-1-carbodithioic acid Openeye Name: 4-hydroxy-4-methyl-3-[(4-methylpiperazin-1-yl)sulfanylcarbonylsulfanylmethyl]-1-[(3-propylphenyl)methyl]piperazine-1,4-diium-1-carbodithioic acid CAS Name: 4-hydroxy-4-methyl-3-[[[[(4-methyl-1-piperazinyl)thio]-oxomethyl]thio]methyl]-1-[(3-propylphenyl)methyl]-1-piperazine-1,4-diiumcarbodithioic acid IUPAC Name: 4-hydroxy-4-methyl-3-[(4-methylpiperazin-1-yl)sulfanylcarbonylsulfanylmethyl]-1-[(3-propylphenyl)methyl]piperazine-1,4-diium-1-carbodithioic acid Traditional Name: 4-hydroxy-4-methyl-3-[[[(4-methylpiperazino)thio]carbonylthio]methyl]-1-(3-propylbenzyl)piperazine-1,4-diium-1-carbodithioic acid Formula: C23H38N4O2S4+2 MolecularWeight: 530.83342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)C[N+]2(CC[N+](C(C2)CSC(=O)SN3CCN(CC3)C)(C)O)C(=S)S

Isomeric SMILES

CCCC1=CC(=CC=C1)C[N+]2(CC[N+](C(C2)CSC(=O)SN3CCN(CC3)C)(C)O)C(=S)S

InChI

InChI=1S/C23H37N4O2S4/c1-4-6-19-7-5-8-20(15-19)16-27(22(30)31)14-13-26(3,29)21(17-27)18-32-23(28)33-25-11-9-24(2)10-12-25/h5,7-8,15,21,29H,4,6,9-14,16-18H2,1-3H3/q+1/p+1