4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C22H30BrN3O2S MolecularWeight: 480.4615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NN=C(S2)C3CCCCC3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NN=C(S2)C3CCCCC3)Br

InChI

InChI=1S/C22H30BrN3O2S/c1-22(2,3)16-11-12-18(17(23)14-16)28-13-7-10-19(27)24-21-26-25-20(29-21)15-8-5-4-6-9-15/h11-12,14-15H,4-10,13H2,1-3H3,(H,24,26,27)