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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3OS2/c1-3-13-5-4-6-14(11-13)17-15(20)12-22-16(21)19-9-7-18(2)8-10-19/h4-6,11H,3,7-10,12H2,1-2H3,(H,17,20)/p+1