tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-thienylmethylsulfanyl)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[2-(thiophen-2-ylmethylthio)ethylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-thenylthio)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C18H28N2O3S2/c1-18(2,3)23-17(22)20-9-6-14(7-10-20)16(21)19-8-12-24-13-15-5-4-11-25-15/h4-5,11,14H,6-10,12-13H2,1-3H3,(H,19,21)