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

Systemtic Name: diethyl 5-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H28ClN3O4S2 MolecularWeight: 510.06912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O4S2/c1-5-30-21(28)18-15(4)19(22(29)31-6-2)33-20(18)25-23(32)27-11-9-26(10-12-27)17-13-16(24)8-7-14(17)3/h7-8,13H,5-6,9-12H2,1-4H3,(H,25,32)