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

Systemtic Name: dimethyl 5-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H21Cl2N3O4S2 MolecularWeight: 502.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H21Cl2N3O4S2/c1-11-15(18(26)28-2)17(31-16(11)19(27)29-3)23-20(30)25-8-6-24(7-9-25)12-4-5-13(21)14(22)10-12/h4-5,10H,6-9H2,1-3H3,(H,23,30)