dimethyl 2-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[(4-methyl-1-piperazinyl)-phenyliminomethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[C-(4-methylpiperazin-1-yl)-N-phenylcarbonimidoyl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[C-(4-methylpiperazino)-N-phenyl-carbonimidoyl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H28N4O5S/c1-27-11-13-28(14-12-27)24(25-18-7-5-4-6-8-18)34-16-21(29)26-20-15-17(22(30)32-2)9-10-19(20)23(31)33-3/h4-10,15H,11-14,16H2,1-3H3,(H,26,29)