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

Systemtic Name: N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)cinchoninamide Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H19N3O4S/c1-12-13(2)32-24(21(12)22(25)28)27-23(29)16-10-18(26-17-6-4-3-5-15(16)17)14-7-8-19-20(9-14)31-11-30-19/h3-10H,11H2,1-2H3,(H2,25,28)(H,27,29)