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

Systemtic Name: (1R,2R)-2-[(3-acetamidophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-[(3-acetamidophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[[(3-acetamidophenyl)thio]methyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-[(3-acetamidophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[[(3-acetamidophenyl)thio]methyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SC[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C18H23N3O2S/c1-13(22)21-15-6-4-7-16(11-15)24-12-14-5-2-3-8-17(14)18(23)20-10-9-19/h4,6-7,11,14,17H,2-3,5,8,10,12H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m0/s1