tert-butyl 4-[(2-pyridin-4-ylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-pyridin-4-ylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(4-pyridylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(pyridin-4-ylthio)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-pyridin-4-ylsulfanylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-pyridylthio)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2SC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2SC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O3S/c1-22(2,3)28-21(27)25-14-10-16(11-15-25)20(26)24-18-6-4-5-7-19(18)29-17-8-12-23-13-9-17/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,24,26)