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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C16H24N3O3S2+ MolecularWeight: 370.51006

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S2/c1-18-6-8-19(9-7-18)16(23)24-11-15(20)17-12-4-5-13(21-2)14(10-12)22-3/h4-5,10H,6-9,11H2,1-3H3,(H,17,20)/p+1