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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Formula: C19H20F2N2OS2 MolecularWeight: 394.501706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

InChI

InChI=1S/C19H20F2N2OS2/c20-17(21)25-13-1-2-14-15(6-13)26-18(22-14)23-16(24)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12,17H,3-5,7-9H2,(H,22,23,24)