[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl] ester Formula: C16H23ClN3O3S2+ MolecularWeight: 404.95512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C16H22ClN3O3S2/c1-19-4-6-20(7-5-19)16(24)25-10-15(21)18-12-8-11(17)13(22-2)9-14(12)23-3/h8-9H,4-7,10H2,1-3H3,(H,18,21)/p+1