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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-methyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-methylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-methylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-methyl-benzamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C#N

InChI

InChI=1S/C22H18N2O3S/c1-13-3-6-16(7-4-13)21(25)24-22-17(11-23)14(2)20(28-22)10-15-5-8-18-19(9-15)27-12-26-18/h3-9H,10,12H2,1-2H3,(H,24,25)