N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-(4-bromophenoxy)acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-bromophenoxy)acetamide Traditional Name: 2-(4-bromophenoxy)-N-(4-methyl-5-piperonyl-thiazol-2-yl)acetamide Formula: C20H17BrN2O4S MolecularWeight: 461.32898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17BrN2O4S/c1-12-18(9-13-2-7-16-17(8-13)27-11-26-16)28-20(22-12)23-19(24)10-25-15-5-3-14(21)4-6-15/h2-8H,9-11H2,1H3,(H,22,23,24)