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

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(3-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=CN=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCC2SCC(=O)NCC3=CN=CC=C3)C(C)(C)C

InChI

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