tert-butyl 3-(3-phenylsulfanylpropylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-phenylsulfanylpropylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(3-phenylsulfanylpropylcarbamoyl)piperidine-1-carboxylate CAS Name: 3-[oxo-[3-(phenylthio)propylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-phenylsulfanylpropylcarbamoyl)piperidine-1-carboxylate Traditional Name: 3-[3-(phenylthio)propylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-20(2,3)25-19(24)22-13-7-9-16(15-22)18(23)21-12-8-14-26-17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3,(H,21,23)