[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-19(30)23-11-12-24(34-23)26(32)33-18-25(31)27-21-7-9-22(10-8-21)29-15-13-28(14-16-29)17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,27,31)