(1R,2R)-N-(cyanomethyl)-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(3,4-dimethoxyphenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(3,4-dimethoxyphenyl)thio]methyl]cyclohexanecarboxamide Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC2CCCCC2C(=O)NCC#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-22-16-8-7-14(11-17(16)23-2)24-12-13-5-3-4-6-15(13)18(21)20-10-9-19/h7-8,11,13,15H,3-6,10,12H2,1-2H3,(H,20,21)/t13-,15+/m0/s1