tert-butyl 4-[4-[4-(2-methylsulfanylethylcarbamoyl)phenyl]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(2-methylsulfanylethylcarbamoyl)phenyl]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(2-methylsulfanylethylcarbamoyl)phenyl]butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-[[2-(methylthio)ethylamino]-oxomethyl]phenyl]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(2-methylsulfanylethylcarbamoyl)phenyl]butyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-[2-(methylthio)ethylcarbamoyl]phenyl]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H38N2O3S MolecularWeight: 434.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)NCCSC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)NCCSC

InChI

InChI=1S/C24H38N2O3S/c1-24(2,3)29-23(28)26-16-13-20(14-17-26)8-6-5-7-19-9-11-21(12-10-19)22(27)25-15-18-30-4/h9-12,20H,5-8,13-18H2,1-4H3,(H,25,27)