2-[(2-cyanophenyl)methylsulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[(2-cyanophenyl)methylthio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[(2-cyanobenzyl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSCC2=CC=CC=C2C#N

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSCC2=CC=CC=C2C#N

InChI

InChI=1S/C18H24N2OS/c1-13-6-5-9-17(14(13)2)20-18(21)12-22-11-16-8-4-3-7-15(16)10-19/h3-4,7-8,13-14,17H,5-6,9,11-12H2,1-2H3,(H,20,21)/t13-,14+,17+/m0/s1