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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCOC3=C(C=C(C=C3)CC(C)(C)C)CC(C)(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCOC3=C(C=C(C=C3)CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C28H38N2O2S/c1-19-29-23-12-11-22(16-25(23)33-19)30-26(31)9-8-14-32-24-13-10-20(17-27(2,3)4)15-21(24)18-28(5,6)7/h10-13,15-16H,8-9,14,17-18H2,1-7H3,(H,30,31)