4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-(2,4-ditert-amylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)butyramide Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C(C)(C)CC

InChI

InChI=1S/C28H38N2O2S/c1-8-27(4,5)20-12-15-24(22(17-20)28(6,7)9-2)32-16-10-11-26(31)30-21-13-14-23-25(18-21)33-19(3)29-23/h12-15,17-18H,8-11,16H2,1-7H3,(H,30,31)