2-(2-bromanyl-4,5-diethoxy-phenyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,5-diethoxy-phenyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2-bromo-4,5-diethoxy-phenyl)acetamide CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2-bromo-4,5-diethoxy-phenyl)acetamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC2=NN=C(S2)CC3=CC=CC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC2=NN=C(S2)CC3=CC=CC=C3)Br)OCC

InChI

InChI=1S/C21H22BrN3O3S/c1-3-27-17-11-15(16(22)13-18(17)28-4-2)12-19(26)23-21-25-24-20(29-21)10-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,23,25,26)