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

Systemtic Name: dimethyl 5-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-[4-(methylthio)benzyl]piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C24H29N3O5S/c1-31-23(29)18-12-19(24(30)32-2)14-20(13-18)25-22(28)16-27-10-8-26(9-11-27)15-17-4-6-21(33-3)7-5-17/h4-7,12-14H,8-11,15-16H2,1-3H3,(H,25,28)