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

Systemtic Name: 1-(3-methoxypropyl)-3-[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-methoxypropyl)-3-[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]amino]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

COCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-27-11-5-10-22-20(28)25-24-19(26)16-12-18(14-6-4-9-21-13-14)23-17-8-3-2-7-15(16)17/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,26)(H2,22,25,28)