2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-bromo-4,6-dimethylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3Br)C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3Br)C)C

InChI

InChI=1S/C21H23BrN2O2S/c1-4-5-6-15-7-8-17-18(11-15)27-21(23-17)24-19(25)12-26-20-14(3)9-13(2)10-16(20)22/h7-11H,4-6,12H2,1-3H3,(H,23,24,25)