[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H27BrN2O4S/c23-22-11-15-8-16(12-22)10-21(9-15,14-22)20(28)29-13-18(26)24-3-5-25(6-4-24)19(27)17-2-1-7-30-17/h1-2,7,15-16H,3-6,8-14H2