(2S)-2-(1-adamantylsulfanyl)-N-(2-ethanoylphenyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(2-acetylphenyl)-2-(1-adamantylsulfanyl)propanamide CAS Name: (2S)-N-(2-acetylphenyl)-2-(1-adamantylthio)propanamide IUPAC Name: (2S)-N-(2-acetylphenyl)-2-(1-adamantylsulfanyl)propanamide Traditional Name: (2S)-N-(2-acetylphenyl)-2-(1-adamantylthio)propionamide Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO2S/c1-13(23)18-5-3-4-6-19(18)22-20(24)14(2)25-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-12H2,1-2H3,(H,22,24)/t14-,15?,16?,17?,21?/m0/s1