ethyl 4-[[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(2-furyl)quinoline-4-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(2-furanyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(furan-2-yl)quinoline-4-carbonyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(2-furyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C24H20N4O4S/c1-2-31-23(30)15-9-11-16(12-10-15)25-24(33)28-27-22(29)18-14-20(21-8-5-13-32-21)26-19-7-4-3-6-17(18)19/h3-14H,2H2,1H3,(H,27,29)(H2,25,28,33)