3-[(3-tert-butyl-5-cyclohexyl-4-oxidanyl-phenyl)methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(3-tert-butyl-5-cyclohexyl-4-oxidanyl-phenyl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(3-tert-butyl-5-cyclohexyl-4-hydroxy-phenyl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-(3-tert-butyl-5-cyclohexyl-4-hydroxy-benzyl)-1,3-benzothiazole-2-thione Formula: C24H29NOS2 MolecularWeight: 411.62316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CN2C3=CC=CC=C3SC2=S)C4CCCCC4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CN2C3=CC=CC=C3SC2=S)C4CCCCC4)O

InChI

InChI=1S/C24H29NOS2/c1-24(2,3)19-14-16(13-18(22(19)26)17-9-5-4-6-10-17)15-25-20-11-7-8-12-21(20)28-23(25)27/h7-8,11-14,17,26H,4-6,9-10,15H2,1-3H3