N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O2S/c19-18(20,21)13-1-2-22-16(23-13)28-9-14(26)24-15(27)25-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H2,24,25,26,27)