N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-tert-butylphenoxy)-2-methyl-propionamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(C)(C)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(C)(C)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H28N2O2S/c1-26(2,3)19-13-15-21(16-14-19)31-27(4,5)25(30)28-20-10-8-9-18(17-20)24-29-22-11-6-7-12-23(22)32-24/h6-17H,1-5H3,(H,28,30)