N-(1-adamantylcarbamoyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C20H24F3N3O2S MolecularWeight: 427.48367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2S/c1-11(29-16-3-2-15(10-24-16)20(21,22)23)17(27)25-18(28)26-19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3,(H2,25,26,27,28)