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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-cyano-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-cyano-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-cyanobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-cyanobenzamide Traditional Name: 4-cyano-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C22H15N3O3S MolecularWeight: 401.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O3S/c1-13-17(11-24)22(25-21(26)16-5-2-14(10-23)3-6-16)29-20(13)9-15-4-7-18-19(8-15)28-12-27-18/h2-8H,9,12H2,1H3,(H,25,26)