N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2,5-dimethylphenoxy)butanamide

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2,5-dimethylphenoxy)butanamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-(2,5-dimethylphenoxy)butanamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-4-(2,5-dimethylphenoxy)butanamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(2,5-dimethylphenoxy)butanamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-(2,5-dimethylphenoxy)butyramide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-14-5-6-15(2)19(12-14)26-11-3-4-20(25)24-21-23-18(13-27-21)16-7-9-17(22)10-8-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25)