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

Systemtic Name: dimethyl 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O4S2/c1-29-20(27)14-7-8-15(21(28)30-2)17(13-14)23-22(31)26-11-9-25(10-12-26)19-16-5-3-4-6-18(16)32-24-19/h3-8,13H,9-12H2,1-2H3,(H,23,31)