tert-butyl 4-[2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-2-(2-thenoylamino)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-22(2,3)29-21(28)25-13-11-24(12-14-25)20(27)18(16-8-5-4-6-9-16)23-19(26)17-10-7-15-30-17/h4-10,15,18H,11-14H2,1-3H3,(H,23,26)