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

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C21H30BrN3O2S MolecularWeight: 468.4508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H30BrN3O2S/c1-6-14(7-2)19-24-25-20(28-19)23-18(26)9-8-12-27-17-11-10-15(13-16(17)22)21(3,4)5/h10-11,13-14H,6-9,12H2,1-5H3,(H,23,25,26)