tert-butyl 4-[[4-(2-methylpentan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-methylpentan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(1,1-dimethylbutylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-methylpentan-2-ylthio)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-methylpentan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(1,1-dimethylbutylthio)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O3S/c1-7-14-23(5,6)29-19-10-8-18(9-11-19)24-20(26)17-12-15-25(16-13-17)21(27)28-22(2,3)4/h8-11,17H,7,12-16H2,1-6H3,(H,24,26)