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

Systemtic Name: tert-butyl 1-(3-phenylpropyl)-4-[(2-pyridin-3-yl-1,3-thiazolidin-4-yl)carbonyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-(3-phenylpropyl)-4-[2-(3-pyridyl)thiazolidine-4-carbonyl]piperazine-2-carboxylate CAS Name: 4-[oxo-[2-(3-pyridinyl)-4-thiazolidinyl]methyl]-1-(3-phenylpropyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(3-phenylpropyl)-4-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 1-(3-phenylpropyl)-4-[2-(3-pyridyl)thiazolidine-4-carbonyl]piperazine-2-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)C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3CSC(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3CSC(N3)C4=CN=CC=C4

InChI

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