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

Systemtic Name: 1-(3-chlorophenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C22H16ClN5OS MolecularWeight: 433.91334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NNC(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN5OS/c23-15-4-3-5-16(12-15)25-22(30)28-27-21(29)18-13-20(14-8-10-24-11-9-14)26-19-7-2-1-6-17(18)19/h1-13H,(H,27,29)(H2,25,28,30)