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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C16H22N3O2S2+ MolecularWeight: 352.49478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H21N3O2S2/c1-12(20)17-14-5-3-13(4-6-14)15(21)11-23-16(22)19-9-7-18(2)8-10-19/h3-6H,7-11H2,1-2H3,(H,17,20)/p+1