tert-butyl N-(4-cyclohexyl-3-oxidanyl-1-phenyl-4-sulfanyl-butan-2-yl)carbamate

Systemtic Name: tert-butyl N-(4-cyclohexyl-3-oxidanyl-1-phenyl-4-sulfanyl-butan-2-yl)carbamate Openeye Name: tert-butyl N-(1-benzyl-3-cyclohexyl-2-hydroxy-3-sulfanyl-propyl)carbamate CAS Name: N-(4-cyclohexyl-3-hydroxy-4-mercapto-1-phenylbutan-2-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-cyclohexyl-3-hydroxy-1-phenyl-4-sulfanylbutan-2-yl)carbamate Traditional Name: N-(1-benzyl-3-cyclohexyl-2-hydroxy-3-mercapto-propyl)carbamic acid tert-butyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(C2CCCCC2)S)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(C2CCCCC2)S)O

InChI

InChI=1S/C21H33NO3S/c1-21(2,3)25-20(24)22-17(14-15-10-6-4-7-11-15)18(23)19(26)16-12-8-5-9-13-16/h4,6-7,10-11,16-19,23,26H,5,8-9,12-14H2,1-3H3,(H,22,24)