tert-butyl N-(1-azanyl-3-hexadecylsulfanyl-propan-2-yl)carbamate

Systemtic Name: tert-butyl N-(1-azanyl-3-hexadecylsulfanyl-propan-2-yl)carbamate Openeye Name: tert-butyl N-[1-(aminomethyl)-2-hexadecylsulfanyl-ethyl]carbamate CAS Name: N-[1-amino-3-(hexadecylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-amino-3-hexadecylsulfanylpropan-2-yl)carbamate Traditional Name: N-[1-(aminomethyl)-2-(cetylthio)ethyl]carbamic acid tert-butyl ester Formula: C24H50N2O2S MolecularWeight: 430.731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CN)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H50N2O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-21-22(20-25)26-23(27)28-24(2,3)4/h22H,5-21,25H2,1-4H3,(H,26,27)