N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethyl]adamantane-2-carboxamide

Systemtic Name: N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethyl]adamantane-2-carboxamide Openeye Name: N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethyl]adamantane-2-carboxamide CAS Name: N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]ethyl]-2-adamantanecarboxamide IUPAC Name: N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]ethyl]adamantane-2-carboxamide Traditional Name: N-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]ethyl]adamantane-2-carboxamide Formula: C21H23F3N2OS2 MolecularWeight: 440.54533

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)NCCSC4=NC5=C(S4)C=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)NCCSC4=NC5=C(S4)C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C21H23F3N2OS2/c22-21(23,24)15-1-2-17-16(10-15)26-20(29-17)28-4-3-25-19(27)18-13-6-11-5-12(8-13)9-14(18)7-11/h1-2,10-14,18H,3-9H2,(H,25,27)