4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

InChI

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