[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]-2-keto-ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-16(2)23-19(26)14-24-9-11-25(12-10-24)20(27)15-29-22(28)21-18(8-13-30-21)17-6-4-3-5-7-17/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,26)