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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2,2-diphenyl-ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2,2-diphenyl-acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2,2-diphenylacetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2,2-diphenylacetamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2,2-diphenyl-acetamide Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O3S/c1-18-22(16-29)28(34-25(18)15-19-12-13-23-24(14-19)33-17-32-23)30-27(31)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-14,26H,15,17H2,1H3,(H,30,31)