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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-phenyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-phenyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-phenylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-phenylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-phenyl-benzamide Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N2O3S/c1-17-22(15-28)27(33-25(17)14-18-7-12-23-24(13-18)32-16-31-23)29-26(30)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-13H,14,16H2,1H3,(H,29,30)