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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H23F3N4O2S MolecularWeight: 428.47173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C19H23F3N4O2S/c1-10(29-17-23-3-2-14(24-17)19(20,21)22)15(27)25-16(28)26-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H2,25,26,27,28)