methyl 4-[(3,4-dimethoxy-2-oxidanyl-phenyl)methyl]piperazine-1-carbodithioate hydrochloride

Systemtic Name: methyl 4-[(3,4-dimethoxy-2-oxidanyl-phenyl)methyl]piperazine-1-carbodithioate hydrochloride Openeye Name: methyl 4-[(2-hydroxy-3,4-dimethoxy-phenyl)methyl]piperazine-1-carbodithioate hydrochloride CAS Name: 4-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-1-piperazinecarbodithioic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]piperazine-1-carbodithioate hydrochloride Traditional Name: 4-(2-hydroxy-3,4-dimethoxy-benzyl)piperazine-1-carbodithioic acid methyl ester hydrochloride Formula: C15H23ClN2O3S2 MolecularWeight: 378.93772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=S)SC)O)OC.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=S)SC)O)OC.Cl

InChI

InChI=1S/C15H22N2O3S2.ClH/c1-19-12-5-4-11(13(18)14(12)20-2)10-16-6-8-17(9-7-16)15(21)22-3;/h4-5,18H,6-10H2,1-3H3;1H