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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C15H21N4O4S2+ MolecularWeight: 385.48164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S2/c1-17-5-7-18(8-6-17)15(24)25-10-14(20)16-12-4-3-11(19(21)22)9-13(12)23-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)/p+1