2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C27H36N2O3S2 MolecularWeight: 500.71634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C27H36N2O3S2/c1-26(2,3)19-13-17(14-20(24(19)31)27(4,5)6)9-8-12-33-16-23(30)29-25-28-21-11-10-18(32-7)15-22(21)34-25/h10-11,13-15,31H,8-9,12,16H2,1-7H3,(H,28,29,30)