(2S)-N-(1-adamantyl)-N-methyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-N-methyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-N-methyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(1-adamantyl)-N-methyl-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-N-methyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-N-methyl-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C25H28F3N3OS MolecularWeight: 475.56953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N(C)C12CC3CC(C1)CC(C3)C2)SC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C25H28F3N3OS/c1-15(22(32)31(2)24-12-16-8-17(13-24)10-18(9-16)14-24)33-23-29-20(19-6-4-3-5-7-19)11-21(30-23)25(26,27)28/h3-7,11,15-18H,8-10,12-14H2,1-2H3/t15-,16?,17?,18?,24?/m0/s1