ethyl 4-[[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3S/c1-2-33-24(32)16-9-11-18(12-10-16)27-25(34)30-29-23(31)20-14-22(17-6-5-13-26-15-17)28-21-8-4-3-7-19(20)21/h3-15H,2H2,1H3,(H,29,31)(H2,27,30,34)