N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenoxy-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2-phenoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2-phenoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenoxybenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2-phenoxy-benzamide Formula: C27H20N2O4S MolecularWeight: 468.5237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H20N2O4S/c1-17-21(15-28)27(34-25(17)14-18-11-12-23-24(13-18)32-16-31-23)29-26(30)20-9-5-6-10-22(20)33-19-7-3-2-4-8-19/h2-13H,14,16H2,1H3,(H,29,30)