[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C15H21ClN3O2S2+ MolecularWeight: 374.92914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2S2/c1-18-5-7-19(8-6-18)15(22)23-10-14(20)17-11-3-4-13(21-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)/p+1