tert-butyl 4-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-(2-thenoylamino)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-21(2,3)29-20(28)25-10-8-24(9-11-25)19(27)14-6-7-15(22)16(13-14)23-18(26)17-5-4-12-30-17/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)