N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C20H22F2N2O2S2 MolecularWeight: 424.527686

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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)SCC(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCC(F)F

InChI

InChI=1S/C20H22F2N2O2S2/c21-16(22)9-27-18-24-14-2-1-13(4-15(14)28-18)23-17(25)19-5-11-3-12(6-19)8-20(26,7-11)10-19/h1-2,4,11-12,16,26H,3,5-10H2,(H,23,25)