[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C17H26N3O4S2+ MolecularWeight: 400.53604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H25N3O4S2/c1-19-5-7-20(8-6-19)17(25)26-11-15(21)18-12-9-13(22-2)16(24-4)14(10-12)23-3/h9-10H,5-8,11H2,1-4H3,(H,18,21)/p+1