2-(5-methylthiophen-2-yl)-N-[3-[[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonylamino]-4-nitro-phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-[3-[[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonylamino]-4-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-[3-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-[3-[[[2-(5-methyl-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-4-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-[3-[[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]amino]-4-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-[3-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]-4-nitro-phenyl]cinchoninamide Formula: C36H25N5O4S2 MolecularWeight: 655.7448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=C(S7)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=C(S7)C

InChI

InChI=1S/C36H25N5O4S2/c1-20-11-15-33(46-20)30-18-25(23-7-3-5-9-27(23)38-30)35(42)37-22-13-14-32(41(44)45)29(17-22)40-36(43)26-19-31(34-16-12-21(2)47-34)39-28-10-6-4-8-24(26)28/h3-19H,1-2H3,(H,37,42)(H,40,43)