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

Systemtic Name: dimethyl 5-[[4-(2-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

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