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

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-[3-[[2-(5-methylthiophen-2-yl)quinolin-4-yl]carbonylamino]-4-phenyldiazenyl-phenyl]quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-[3-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-[3-[[[2-(5-methyl-2-thiophenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyldiazenylphenyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-[3-[[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-[3-[[2-(5-methyl-2-thienyl)quinoline-4-carbonyl]amino]-4-phenylazo-phenyl]cinchoninamide Formula: C42H30N6O2S2 MolecularWeight: 714.8566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)N=NC5=CC=CC=C5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=C(S8)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=C(C=C4)N=NC5=CC=CC=C5)NC(=O)C6=CC(=NC7=CC=CC=C76)C8=CC=C(S8)C

InChI

InChI=1S/C42H30N6O2S2/c1-25-16-20-39(51-25)37-23-31(29-12-6-8-14-33(29)44-37)41(49)43-28-18-19-35(48-47-27-10-4-3-5-11-27)36(22-28)46-42(50)32-24-38(40-21-17-26(2)52-40)45-34-15-9-7-13-30(32)34/h3-24H,1-2H3,(H,43,49)(H,46,50)