2-bromanylpropanoyl chloride; 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-phenacyl-propanamide

Systemtic Name: 2-bromanylpropanoyl chloride; 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-N-phenacyl-propanamide Openeye Name: 2-bromopropanoyl chloride; 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-N-phenacyl-propanamide CAS Name: 2-bromopropanoyl chloride; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-N-phenacylpropanamide IUPAC Name: 2-bromopropanoyl chloride; 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-phenacylpropanamide Traditional Name: 2-bromopropionyl chloride; 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-N-phenacyl-propionamide Formula: C28H37BrClNO4S MolecularWeight: 599.01968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)C1=CC=CC=C1)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC(C(=O)Cl)Br

Isomeric SMILES

CC(C(=O)NCC(=O)C1=CC=CC=C1)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC(C(=O)Cl)Br

InChI

InChI=1S/C25H33NO3S.C3H4BrClO/c1-16(23(29)26-15-21(27)17-11-9-8-10-12-17)30-18-13-19(24(2,3)4)22(28)20(14-18)25(5,6)7;1-2(4)3(5)6/h8-14,16,28H,15H2,1-7H3,(H,26,29);2H,1H3