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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-ethanoyl-benzamide Openeye Name: 4-acetyl-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]benzamide CAS Name: 4-acetyl-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]benzamide IUPAC Name: 4-acetyl-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]benzamide Traditional Name: 4-acetyl-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(=O)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H18N2O4S/c1-13-18(11-24)23(25-22(27)17-6-4-16(5-7-17)14(2)26)30-21(13)10-15-3-8-19-20(9-15)29-12-28-19/h3-9H,10,12H2,1-2H3,(H,25,27)