3-oxidanyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

Systemtic Name: 3-oxidanyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCC6=CN=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCC6=CN=CC=C6

InChI

InChI=1S/C24H25N3O2S2/c28-21(23-8-16-6-17(9-23)11-24(29,10-16)14-23)26-18-3-4-19-20(7-18)31-22(27-19)30-13-15-2-1-5-25-12-15/h1-5,7,12,16-17,29H,6,8-11,13-14H2,(H,26,28)