(2S)-2-(1-adamantylsulfanyl)-N-(1-cyanocyclohexyl)-N-methyl-propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(1-cyanocyclohexyl)-N-methyl-propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(1-cyanocyclohexyl)-N-methylpropanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(1-cyanocyclohexyl)-N-methylpropanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C21H32N2OS MolecularWeight: 360.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H32N2OS/c1-15(19(24)23(2)20(14-22)6-4-3-5-7-20)25-21-11-16-8-17(12-21)10-18(9-16)13-21/h15-18H,3-13H2,1-2H3/t15-,16?,17?,18?,21?/m0/s1