ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-ethylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-ethylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-ethylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(4-ethylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[3-(4-ethylpiperazino)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C24H33N3O3S/c1-5-26-11-13-27(14-12-26)10-9-21(28)25-23-22(24(29)30-6-2)20(16-31-23)19-8-7-17(3)18(4)15-19/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,25,28)