N-[5-[4-ethoxy-2-(2-methylpropyl)phenyl]-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: N-[5-[4-ethoxy-2-(2-methylpropyl)phenyl]-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-[5-(4-ethoxy-2-isobutyl-phenyl)-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-[4-ethoxy-2-(2-methylpropyl)phenyl]-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-[5-[4-ethoxy-2-(2-methylpropyl)phenyl]-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: N-[5-(4-ethoxy-2-isobutyl-phenyl)-2-phenoxy-3H-1,3,4-thiadiazol-2-yl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NNC(S2)(NC(=O)C)OC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NNC(S2)(NC(=O)C)OC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C22H27N3O3S/c1-5-27-19-11-12-20(17(14-19)13-15(2)3)21-24-25-22(29-21,23-16(4)26)28-18-9-7-6-8-10-18/h6-12,14-15,25H,5,13H2,1-4H3,(H,23,26)