3-[[3,5-bis(2-methylheptan-2-yl)-2-oxidanyl-phenyl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[3,5-bis(2-methylheptan-2-yl)-2-oxidanyl-phenyl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[3,5-bis(1,1-dimethylhexyl)-2-hydroxy-phenyl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[2-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[2-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[3,5-bis(1,1-dimethylhexyl)-2-hydroxy-benzyl]-1,3-benzothiazole-2-thione Formula: C30H43NOS2 MolecularWeight: 497.79852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(C)(C)CCCCC)O)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(C)(C)CCCCC)O)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C30H43NOS2/c1-7-9-13-17-29(3,4)23-19-22(21-31-25-15-11-12-16-26(25)34-28(31)33)27(32)24(20-23)30(5,6)18-14-10-8-2/h11-12,15-16,19-20,32H,7-10,13-14,17-18,21H2,1-6H3