[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid (2-keto-2-mesidino-ethyl) ester Formula: C17H26N3OS2+ MolecularWeight: 352.53784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=S)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=S)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H25N3OS2/c1-12-9-13(2)16(14(3)10-12)18-15(21)11-23-17(22)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H,18,21)/p+1