tert-butyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-pyridylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[4-(3-pyridinylmethylthio)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(3-pyridylmethylthio)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-23(2,3)29-22(28)26-13-10-18(11-14-26)21(27)25-19-6-8-20(9-7-19)30-16-17-5-4-12-24-15-17/h4-9,12,15,18H,10-11,13-14,16H2,1-3H3,(H,25,27)