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

Systemtic Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-ethylpiperazino)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H33N3O3S/c1-3-30-16-18-31(19-17-30)15-14-25(32)29-27-26(28(33)34-4-2)24(20-35-27)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-13,20H,3-4,14-19H2,1-2H3,(H,29,32)