tert-butyl N-[1-[4-(aminomethyl)piperidin-1-yl]-4-methylsulfanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[4-(aminomethyl)piperidin-1-yl]-4-methylsulfanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[4-(aminomethyl)-1-piperidyl]methyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[1-[4-(aminomethyl)-1-piperidinyl]-4-(methylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(aminomethyl)piperidin-1-yl]-4-methylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[[4-(aminomethyl)piperidino]methyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C16H33N3O2S MolecularWeight: 331.51712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)CN1CCC(CC1)CN

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)CN1CCC(CC1)CN

InChI

InChI=1S/C16H33N3O2S/c1-16(2,3)21-15(20)18-14(7-10-22-4)12-19-8-5-13(11-17)6-9-19/h13-14H,5-12,17H2,1-4H3,(H,18,20)