1-(4-nitrophenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3S/c29-21(26-27-22(32)24-15-5-7-16(8-6-15)28(30)31)18-13-20(14-9-11-23-12-10-14)25-19-4-2-1-3-17(18)19/h1-13H,(H,26,29)(H2,24,27,32)