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

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-2-thienyl)cinchoninamide Formula: C22H15N3O4S MolecularWeight: 417.4372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=CS5)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=CS5)C(=O)N

InChI

InChI=1S/C22H15N3O4S/c23-20(26)14-7-8-30-22(14)25-21(27)15-10-17(24-16-4-2-1-3-13(15)16)12-5-6-18-19(9-12)29-11-28-18/h1-10H,11H2,(H2,23,26)(H,25,27)