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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2S/c1-14-5-3-6-19(15(14)2)26-12-4-7-20(25)24-21-23-18(13-27-21)16-8-10-17(22)11-9-16/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,23,24,25)