2-(1-adamantylsulfanyl)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H28N2OS/c1-12(2)17(3,11-19)20-16(21)10-22-18-7-13-4-14(8-18)6-15(5-13)9-18/h12-15H,4-10H2,1-3H3,(H,20,21)/t13?,14?,15?,17-,18?/m1/s1