2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyridin-2-ylethyl)ethanamide

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-[1-(2-pyridyl)ethyl]acetamide CAS Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-[1-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyridin-2-ylethyl)acetamide Traditional Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-[1-(2-pyridyl)ethyl]acetamide Formula: C29H42N2OS2 MolecularWeight: 498.78658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)CSC2CCCCC2SC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)CSC2CCCCC2SC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H42N2OS2/c1-20(24-12-10-11-15-30-24)31-27(32)19-33-25-13-8-9-14-26(25)34-23-17-21(28(2,3)4)16-22(18-23)29(5,6)7/h10-12,15-18,20,25-26H,8-9,13-14,19H2,1-7H3,(H,31,32)