2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[1-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[1-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[1-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(4-pyridylmethyl)acetamide Formula: C28H40N2OS2 MolecularWeight: 484.76

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2(CCCCC2)SCC(=O)NCC3=CC=NC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)SC2(CCCCC2)SCC(=O)NCC3=CC=NC=C3)C(C)(C)C

InChI

InChI=1S/C28H40N2OS2/c1-26(2,3)22-16-23(27(4,5)6)18-24(17-22)33-28(12-8-7-9-13-28)32-20-25(31)30-19-21-10-14-29-15-11-21/h10-11,14-18H,7-9,12-13,19-20H2,1-6H3,(H,30,31)