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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-piperonyl-2-(3-thienyl)cinchoninamide Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O3S/c25-22(23-11-14-5-6-20-21(9-14)27-13-26-20)17-10-19(15-7-8-28-12-15)24-18-4-2-1-3-16(17)18/h1-10,12H,11,13H2,(H,23,25)