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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CS5

InChI

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