ethyl 5-aminocarbonyl-2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(3,4-dichlorophenyl)piperazino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24Cl2N4O4S MolecularWeight: 499.41066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4O4S/c1-3-31-21(30)17-12(2)18(19(24)29)32-20(17)25-16(28)11-26-6-8-27(9-7-26)13-4-5-14(22)15(23)10-13/h4-5,10H,3,6-9,11H2,1-2H3,(H2,24,29)(H,25,28)