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

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-[1-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-[1-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(1-piperidinoethyl)acetamide Formula: C29H48N2OS2 MolecularWeight: 504.83422

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)CSC1CCCCC1SC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)N3CCCCC3

Isomeric SMILES

CC(NC(=O)CSC1CCCCC1SC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)N3CCCCC3

InChI

InChI=1S/C29H48N2OS2/c1-21(31-15-11-8-12-16-31)30-27(32)20-33-25-13-9-10-14-26(25)34-24-18-22(28(2,3)4)17-23(19-24)29(5,6)7/h17-19,21,25-26H,8-16,20H2,1-7H3,(H,30,32)