2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloranyl-5-isothiocyanato-4-methyl-2-oxidanyl-phenyl)butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloranyl-5-isothiocyanato-4-methyl-2-oxidanyl-phenyl)butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methyl-phenyl)butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methylphenyl)butanamide Traditional Name: N-(3-chloro-2-hydroxy-5-isothiocyanato-4-methyl-phenyl)-2-(2,4-ditert-amylphenoxy)butyramide Formula: C28H37ClN2O3S MolecularWeight: 517.12298

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H37ClN2O3S/c1-9-22(26(33)31-21-15-20(30-16-35)17(4)24(29)25(21)32)34-23-13-12-18(27(5,6)10-2)14-19(23)28(7,8)11-3/h12-15,22,32H,9-11H2,1-8H3,(H,31,33)