3-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pentan-2-one

Systemtic Name: 3-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pentan-2-one Openeye Name: 3-[2-(1,1-dimethylpropyl)-4-methyl-phenoxy]-1-(5-morpholino-1,3,4-thiadiazol-2-yl)pentan-2-one CAS Name: 3-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-1-[5-(4-morpholinyl)-1,3,4-thiadiazol-2-yl]-2-pentanone IUPAC Name: 3-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)pentan-2-one Traditional Name: 3-(2-tert-amyl-4-methyl-phenoxy)-1-(5-morpholino-1,3,4-thiadiazol-2-yl)pentan-2-one Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CC1=NN=C(S1)N2CCOCC2)OC3=C(C=C(C=C3)C)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)CC1=NN=C(S1)N2CCOCC2)OC3=C(C=C(C=C3)C)C(C)(C)CC

InChI

InChI=1S/C23H33N3O3S/c1-6-19(29-20-9-8-16(3)14-17(20)23(4,5)7-2)18(27)15-21-24-25-22(30-21)26-10-12-28-13-11-26/h8-9,14,19H,6-7,10-13,15H2,1-5H3