(2R)-N-cycloheptyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cycloheptyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cycloheptyl-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C21H24F3N3OS MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3OS/c1-14(19(28)25-16-11-7-2-3-8-12-16)29-20-26-17(15-9-5-4-6-10-15)13-18(27-20)21(22,23)24/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3,(H,25,28)/t14-/m1/s1