[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methylpiperazine-1-carbodithioate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-methylpiperazine-1-carbodithioate CAS Name: 4-methyl-1-piperazinecarbodithioic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate Traditional Name: 4-methylpiperazine-1-carbodithioic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H27N3O3S2/c1-20-8-10-21(11-9-20)18(25)26-13-17(22)19-7-6-14-4-5-15(23-2)16(12-14)24-3/h4-5,12H,6-11,13H2,1-3H3,(H,19,22)