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

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-dimethylaminophenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-dimethylaminophenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-dimethylaminophenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-dimethylaminophenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-dimethylaminophenyl)thio]methyl]cyclohexanecarboxamide Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)SCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-21(2)15-7-9-16(10-8-15)23-13-14-5-3-4-6-17(14)18(22)20-12-11-19/h7-10,14,17H,3-6,12-13H2,1-2H3,(H,20,22)/t14-,17+/m0/s1