tert-butyl N-[1-(4-bromophenyl)sulfanyl-5-methyl-2-oxidanyl-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(4-bromophenyl)sulfanyl-5-methyl-2-oxidanyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-(4-bromophenyl)sulfanyl-1-hydroxy-ethyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[(4-bromophenyl)thio]-2-hydroxy-5-methylhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-bromophenyl)sulfanyl-2-hydroxy-5-methylhexan-3-yl]carbamate Traditional Name: N-[1-[2-[(4-bromophenyl)thio]-1-hydroxy-ethyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C18H28BrNO3S MolecularWeight: 418.38882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CSC1=CC=C(C=C1)Br)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(CSC1=CC=C(C=C1)Br)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28BrNO3S/c1-12(2)10-15(20-17(22)23-18(3,4)5)16(21)11-24-14-8-6-13(19)7-9-14/h6-9,12,15-16,21H,10-11H2,1-5H3,(H,20,22)