[2-(diphenylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(diphenylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-oxo-2-(N-phenylanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-(N-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-phenylanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(N-phenylanilino)ethyl] ester Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS2/c1-21-12-14-22(15-13-21)20(25)26-16-19(24)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3/p+1