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

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C14H19ClN3OS2+ MolecularWeight: 344.90316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3OS2/c1-17-6-8-18(9-7-17)14(20)21-10-13(19)16-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,19)/p+1