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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-3-phenyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylpropanamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-3-phenyl-propionamide Formula: C23H20N2O3S MolecularWeight: 404.4815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O3S/c1-15-18(13-24)23(25-22(26)10-8-16-5-3-2-4-6-16)29-21(15)12-17-7-9-19-20(11-17)28-14-27-19/h2-7,9,11H,8,10,12,14H2,1H3,(H,25,26)