dimethyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H24ClN3O4S/c1-14-4-6-16(23)13-19(14)25-8-10-26(11-9-25)22(31)24-18-12-15(20(27)29-2)5-7-17(18)21(28)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,31)