dimethyl 5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)C(=O)OC

InChI

InChI=1S/C22H25N3O5S/c1-29-20(26)15-12-16(21(27)30-2)14-17(13-15)23-22(28)25-10-8-24(9-11-25)18-6-4-5-7-19(18)31-3/h4-7,12-14H,8-11H2,1-3H3,(H,23,28)