N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]thiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[4-[[(4-fluorophenyl)methylthio]methyl]-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[4-[[(4-fluorobenzyl)thio]methyl]thiazol-2-yl]adamantane-1-carboxamide Formula: C22H25FN2OS2 MolecularWeight: 416.575103

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC(=CS4)CSCC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC(=CS4)CSCC5=CC=C(C=C5)F

InChI

InChI=1S/C22H25FN2OS2/c23-18-3-1-14(2-4-18)11-27-12-19-13-28-21(24-19)25-20(26)22-8-15-5-16(9-22)7-17(6-15)10-22/h1-4,13,15-17H,5-12H2,(H,24,25,26)