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

Systemtic Name: 3-[(3,5-dicyclohexyl-4-oxidanyl-phenyl)methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(3,5-dicyclohexyl-4-hydroxy-phenyl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(3,5-dicyclohexyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(3,5-dicyclohexyl-4-hydroxyphenyl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-(3,5-dicyclohexyl-4-hydroxy-benzyl)-1,3-benzothiazole-2-thione Formula: C26H31NOS2 MolecularWeight: 437.66044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)CN4C5=CC=CC=C5SC4=S

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC(=C2O)C3CCCCC3)CN4C5=CC=CC=C5SC4=S

InChI

InChI=1S/C26H31NOS2/c28-25-21(19-9-3-1-4-10-19)15-18(16-22(25)20-11-5-2-6-12-20)17-27-23-13-7-8-14-24(23)30-26(27)29/h7-8,13-16,19-20,28H,1-6,9-12,17H2