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

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 2-(2,4-ditert-amylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2S/c1-9-26(5,6)19-11-14-23(21(15-19)27(7,8)10-2)31-17(3)25(30)29-20-12-13-22-24(16-20)32-18(4)28-22/h11-17H,9-10H2,1-8H3,(H,29,30)