[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C16H24N3OS2+ MolecularWeight: 338.51126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS2/c1-12-8-13(2)10-14(9-12)17-15(20)11-22-16(21)19-6-4-18(3)5-7-19/h8-10H,4-7,11H2,1-3H3,(H,17,20)/p+1