1-(3-chloranyl-4-methyl-phenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiourea Formula: C23H18ClN5OS MolecularWeight: 447.93992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)Cl

InChI

InChI=1S/C23H18ClN5OS/c1-14-6-7-16(12-19(14)24)26-23(31)29-28-22(30)18-13-21(15-8-10-25-11-9-15)27-20-5-3-2-4-17(18)20/h2-13H,1H3,(H,28,30)(H2,26,29,31)