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

Systemtic Name: dimethyl 5-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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