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

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-[1-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(1-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]-N-(1-pyrrolidinoethyl)acetamide Formula: C28H46N2OS2 MolecularWeight: 490.80764

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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)N3CCCC3

Isomeric SMILES

CC(NC(=O)CSC1CCCCC1SC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)N3CCCC3

InChI

InChI=1S/C28H46N2OS2/c1-20(30-14-10-11-15-30)29-26(31)19-32-24-12-8-9-13-25(24)33-23-17-21(27(2,3)4)16-22(18-23)28(5,6)7/h16-18,20,24-25H,8-15,19H2,1-7H3,(H,29,31)