3,4,5-trimethoxy-N-[[[2-(4-phenylphenyl)quinolin-4-yl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[[2-(4-phenylphenyl)quinolin-4-yl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[[oxo-[2-(4-phenylphenyl)-4-quinolinyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]thiocarbamoyl]benzamide Formula: C33H28N4O5S MolecularWeight: 592.66422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28N4O5S/c1-40-28-17-23(18-29(41-2)30(28)42-3)31(38)35-33(43)37-36-32(39)25-19-27(34-26-12-8-7-11-24(25)26)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h4-19H,1-3H3,(H,36,39)(H2,35,37,38,43)