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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5OS/c29-22(27-28-23(30)25-15-16-6-2-1-3-7-16)19-14-21(17-10-12-24-13-11-17)26-20-9-5-4-8-18(19)20/h1-14H,15H2,(H,27,29)(H2,25,28,30)