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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-(4-cyanophenoxy)acetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide Traditional Name: 2-(4-cyanophenoxy)-N-(4-methyl-5-piperonyl-thiazol-2-yl)acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-13-19(9-15-4-7-17-18(8-15)28-12-27-17)29-21(23-13)24-20(25)11-26-16-5-2-14(10-22)3-6-16/h2-8H,9,11-12H2,1H3,(H,23,24,25)