N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)OCCO5)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C

InChI

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