(2S)-2-acetamido-N-(1-adamantyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[[3-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[[3-(trifluoromethyl)phenyl]thio]propionamide Formula: C22H27F3N2O2S MolecularWeight: 440.52219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27F3N2O2S/c1-13(28)26-19(12-30-18-4-2-3-17(8-18)22(23,24)25)20(29)27-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16,19H,5-7,9-12H2,1H3,(H,26,28)(H,27,29)/t14?,15?,16?,19-,21?/m1/s1