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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3,5-bis(chloranyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-3,5-dichloro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-3,5-dichlorobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3,5-dichlorobenzamide Traditional Name: 3,5-dichloro-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N2O3S/c1-11-16(9-24)21(25-20(26)13-6-14(22)8-15(23)7-13)29-19(11)5-12-2-3-17-18(4-12)28-10-27-17/h2-4,6-8H,5,10H2,1H3,(H,25,26)