4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioic acid

Systemtic Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioic acid Openeye Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioic acid CAS Name: 4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinecarbodithioic acid IUPAC Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbodithioic acid Traditional Name: 4-(3,4,5-trimethoxybenzyl)piperazine-1-carbodithioic acid Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=S)S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=S)S

InChI

InChI=1S/C15H22N2O3S2/c1-18-12-8-11(9-13(19-2)14(12)20-3)10-16-4-6-17(7-5-16)15(21)22/h8-9H,4-7,10H2,1-3H3,(H,21,22)