(1R,2R)-N-(cyanomethyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-methoxyphenyl)methylthio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methoxyphenyl)methylsulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(p-anisylthio)methyl]cyclohexanecarboxamide Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CSC[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C18H24N2O2S/c1-22-16-8-6-14(7-9-16)12-23-13-15-4-2-3-5-17(15)18(21)20-11-10-19/h6-9,15,17H,2-5,11-13H2,1H3,(H,20,21)/t15-,17+/m0/s1