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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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