ethyl 4-(2,4-dimethylphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-piperazinyl)-1-oxoethyl]amino]-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpiperazino)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S/c1-4-35-28(34)25-23(22-11-10-19(2)16-20(22)3)18-36-26(25)29-24(32)17-30-12-14-31(15-13-30)27(33)21-8-6-5-7-9-21/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,29,32)