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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-bromanyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-bromo-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-bromobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-bromobenzamide Traditional Name: 4-bromo-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O3S/c1-12-16(10-23)21(24-20(25)14-3-5-15(22)6-4-14)28-19(12)9-13-2-7-17-18(8-13)27-11-26-17/h2-8H,9,11H2,1H3,(H,24,25)