2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(2-pyridylmethyl)acetamide Formula: C28H40N2OS2 MolecularWeight: 484.76

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCC2SCC(=O)NCC3=CC=CC=N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCC2SCC(=O)NCC3=CC=CC=N3)C(C)(C)C

InChI

InChI=1S/C28H40N2OS2/c1-27(2,3)20-15-21(28(4,5)6)17-23(16-20)33-25-13-8-7-12-24(25)32-19-26(31)30-18-22-11-9-10-14-29-22/h9-11,14-17,24-25H,7-8,12-13,18-19H2,1-6H3,(H,30,31)