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

Systemtic Name: 2-(4-bromanyl-2-propan-2-yl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-isopropyl-phenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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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=C3)Br)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C22H25BrN2O2S/c1-4-5-6-15-7-9-18-20(11-15)28-22(24-18)25-21(26)13-27-19-10-8-16(23)12-17(19)14(2)3/h7-12,14H,4-6,13H2,1-3H3,(H,24,25,26)