[2,3-dimethyl-5-[(4-methylpiperazin-1-yl)carbothioylsulfanylmethyl]-4-oxidanyl-phenyl]methyl 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2,3-dimethyl-5-[(4-methylpiperazin-1-yl)carbothioylsulfanylmethyl]-4-oxidanyl-phenyl]methyl 4-methylpiperazine-1-carbodithioate Openeye Name: [4-hydroxy-2,3-dimethyl-5-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]phenyl]methyl 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [4-hydroxy-2,3-dimethyl-5-[[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]methyl]phenyl]methyl ester IUPAC Name: [4-hydroxy-2,3-dimethyl-5-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]phenyl]methyl 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [4-hydroxy-2,3-dimethyl-5-[[(4-methylpiperazine-1-carbothioyl)thio]methyl]benzyl] ester Formula: C22H34N4OS4 MolecularWeight: 498.79156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CSC(=S)N2CCN(CC2)C)CSC(=S)N3CCN(CC3)C)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1CSC(=S)N2CCN(CC2)C)CSC(=S)N3CCN(CC3)C)O)C

InChI

InChI=1S/C22H34N4OS4/c1-16-17(2)20(27)19(15-31-22(29)26-11-7-24(4)8-12-26)13-18(16)14-30-21(28)25-9-5-23(3)6-10-25/h13,27H,5-12,14-15H2,1-4H3