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

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C20H28BrN3O2S MolecularWeight: 454.42422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C20H28BrN3O2S/c1-5-6-9-18-23-24-19(27-18)22-17(25)8-7-12-26-16-11-10-14(13-15(16)21)20(2,3)4/h10-11,13H,5-9,12H2,1-4H3,(H,22,24,25)