(phenylmethyl) 4-[[2,3,4-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioate

Systemtic Name: (phenylmethyl) 4-[[2,3,4-tris(oxidanyl)phenyl]methyl]piperazine-1-carbodithioate Openeye Name: benzyl 4-[(2,3,4-trihydroxyphenyl)methyl]piperazine-1-carbodithioate CAS Name: 4-[(2,3,4-trihydroxyphenyl)methyl]-1-piperazinecarbodithioic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2,3,4-trihydroxyphenyl)methyl]piperazine-1-carbodithioate Traditional Name: 4-(2,3,4-trihydroxybenzyl)piperazine-1-carbodithioic acid benzyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C(=C(C=C2)O)O)O)C(=S)SCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C(=C(C=C2)O)O)O)C(=S)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S2/c22-16-7-6-15(17(23)18(16)24)12-20-8-10-21(11-9-20)19(25)26-13-14-4-2-1-3-5-14/h1-7,22-24H,8-13H2