2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]phenyl]methyl]phenyl]quinoline-4-carboxamide

Systemtic Name: 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]phenyl]methyl]phenyl]quinoline-4-carboxamide Openeye Name: 2-(2-thienyl)-N-[4-[[4-[[2-(2-thienyl)quinoline-4-carbonyl]amino]phenyl]methyl]phenyl]quinoline-4-carboxamide CAS Name: N-[4-[[4-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]phenyl]methyl]phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]methyl]phenyl]quinoline-4-carboxamide Traditional Name: 2-(2-thienyl)-N-[4-[4-[[2-(2-thienyl)quinoline-4-carbonyl]amino]benzyl]phenyl]cinchoninamide Formula: C41H28N4O2S2 MolecularWeight: 672.81662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=CS8

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=CS8

InChI

InChI=1S/C41H28N4O2S2/c46-40(32-24-36(38-11-5-21-48-38)44-34-9-3-1-7-30(32)34)42-28-17-13-26(14-18-28)23-27-15-19-29(20-16-27)43-41(47)33-25-37(39-12-6-22-49-39)45-35-10-4-2-8-31(33)35/h1-22,24-25H,23H2,(H,42,46)(H,43,47)