diethyl 5-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25Cl2N3O4S2 MolecularWeight: 530.4876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O4S2/c1-4-30-20(28)17-13(3)18(21(29)31-5-2)33-19(17)25-22(32)27-10-8-26(9-11-27)14-6-7-15(23)16(24)12-14/h6-7,12H,4-5,8-11H2,1-3H3,(H,25,32)