[2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2,5-dichloroanilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichloroanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(2,5-dichloroanilino)-2-keto-ethyl] ester Formula: C14H18Cl2N3OS2+ MolecularWeight: 379.34822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3OS2/c1-18-4-6-19(7-5-18)14(21)22-9-13(20)17-12-8-10(15)2-3-11(12)16/h2-3,8H,4-7,9H2,1H3,(H,17,20)/p+1