N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-(4-bromanylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-(4-bromanylphenoxy)-2-methyl-propanamide Openeye Name: N-[3-(2-acetamidothiazol-4-yl)phenyl]-2-(4-bromophenoxy)-2-methyl-propanamide CAS Name: N-[3-(2-acetamido-4-thiazolyl)phenyl]-2-(4-bromophenoxy)-2-methylpropanamide IUPAC Name: N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-(4-bromophenoxy)-2-methylpropanamide Traditional Name: N-[3-(2-acetamidothiazol-4-yl)phenyl]-2-(4-bromophenoxy)-2-methyl-propionamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-13(26)23-20-25-18(12-29-20)14-5-4-6-16(11-14)24-19(27)21(2,3)28-17-9-7-15(22)8-10-17/h4-12H,1-3H3,(H,24,27)(H,23,25,26)