tert-butyl 4-[4-(phenylmethyl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(phenylmethyl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-benzylpiperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-[4-(phenylmethyl)-1-piperazinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-benzylpiperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-benzylpiperazino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O3S MolecularWeight: 460.63264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H36N4O3S/c1-24(2,3)31-23(30)28-17-20(15-21(28)22(29)27-13-14-32-18-27)26-11-9-25(10-12-26)16-19-7-5-4-6-8-19/h4-8,20-21H,9-18H2,1-3H3