2-(2-bromanyl-4-propyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-bromanyl-4-propyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4-propyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4-propylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4-propylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4-propyl-phenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=CC(=C3C)C)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=CC(=C3C)C)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-4-5-14-7-8-16(15(21)10-14)25-11-18(24)22-20-23-19-13(3)12(2)6-9-17(19)26-20/h6-10H,4-5,11H2,1-3H3,(H,22,23,24)