tert-butyl 4-[4-(3-phenylpropyl)piperazin-1-yl]carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-phenylpropyl)piperazin-1-yl]carbonyl-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl 4-[4-(3-phenylpropyl)piperazine-1-carbonyl]-2-(3-pyridyl)thiazolidine-3-carboxylate CAS Name: 4-[oxo-[4-(3-phenylpropyl)-1-piperazinyl]methyl]-2-(3-pyridinyl)-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-phenylpropyl)piperazine-1-carbonyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate Traditional Name: 4-[4-(3-phenylpropyl)piperazine-1-carbonyl]-2-(3-pyridyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)N3CCN(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)N3CCN(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O3S/c1-27(2,3)34-26(33)31-23(20-35-25(31)22-12-7-13-28-19-22)24(32)30-17-15-29(16-18-30)14-8-11-21-9-5-4-6-10-21/h4-7,9-10,12-13,19,23,25H,8,11,14-18,20H2,1-3H3