N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromo-2-thienyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromo-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-piperonyl-cinchoninamide Formula: C22H15BrN2O3S MolecularWeight: 467.3351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Br

InChI

InChI=1S/C22H15BrN2O3S/c23-21-8-7-20(29-21)17-10-15(14-3-1-2-4-16(14)25-17)22(26)24-11-13-5-6-18-19(9-13)28-12-27-18/h1-10H,11-12H2,(H,24,26)