[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C21H23ClN3O2S2+ MolecularWeight: 449.00922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2S2/c1-24-9-11-25(12-10-24)21(28)29-14-19(26)23-18-8-7-16(22)13-17(18)20(27)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,26)/p+1