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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

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