dimethyl 2-[2-(4-methylpiperazin-1-yl)carbothioylsulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-methylpiperazin-1-yl)carbothioylsulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-methylpiperazine-1-carbothioyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H23N3O5S2/c1-20-6-8-21(9-7-20)18(27)28-11-15(22)19-14-10-12(16(23)25-2)4-5-13(14)17(24)26-3/h4-5,10H,6-9,11H2,1-3H3,(H,19,22)