2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(5-isothiocyanato-4-methyl-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(5-isothiocyanato-4-methyl-2-oxidanyl-phenyl)butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(2-hydroxy-5-isothiocyanato-4-methyl-phenyl)butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-(2-hydroxy-5-isothiocyanato-4-methyl-phenyl)butyramide Formula: C28H38N2O3S MolecularWeight: 482.67792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)N=C=S)C)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)N=C=S)C)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C28H38N2O3S/c1-9-24(26(32)30-22-16-21(29-17-34)18(4)14-23(22)31)33-25-13-12-19(27(5,6)10-2)15-20(25)28(7,8)11-3/h12-16,24,31H,9-11H2,1-8H3,(H,30,32)