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

Systemtic Name: N-(3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-5-isopropyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-5-propan-2-yl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-5-isopropyl-2-thienyl)cinchoninamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C25H21N3O4S/c1-13(2)22-11-17(23(26)29)25(33-22)28-24(30)16-10-19(27-18-6-4-3-5-15(16)18)14-7-8-20-21(9-14)32-12-31-20/h3-11,13H,12H2,1-2H3,(H2,26,29)(H,28,30)