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

Systemtic Name: tert-butyl 4-[4-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-thenoylamino)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(27)24-12-10-23(11-13-24)19(26)15-6-8-16(9-7-15)22-18(25)17-5-4-14-29-17/h4-9,14H,10-13H2,1-3H3,(H,22,25)