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

Systemtic Name: 1-(2-methylphenyl)-3-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(o-tolyl)-3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C23H19N5OS MolecularWeight: 413.49486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C23H19N5OS/c1-15-7-2-4-10-19(15)26-23(30)28-27-22(29)18-13-21(16-8-6-12-24-14-16)25-20-11-5-3-9-17(18)20/h2-14H,1H3,(H,27,29)(H2,26,28,30)