ethyl 4-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H20N4O3S2 MolecularWeight: 476.5706

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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=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H20N4O3S2/c1-2-31-23(30)15-9-11-16(12-10-15)25-24(32)28-27-22(29)18-14-20(21-8-5-13-33-21)26-19-7-4-3-6-17(18)19/h3-14H,2H2,1H3,(H,27,29)(H2,25,28,32)