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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-methoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-methoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-methoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-methoxybenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-methoxy-benzamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-13-17(11-23)22(24-21(25)15-4-6-16(26-2)7-5-15)29-20(13)10-14-3-8-18-19(9-14)28-12-27-18/h3-9H,10,12H2,1-2H3,(H,24,25)