1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-[(3-methylquinoxalin-2-yl)methylsulfanyl]phenyl]urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-[(3-methylquinoxalin-2-yl)methylsulfanyl]phenyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-[(3-methylquinoxalin-2-yl)methylsulfanyl]phenyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-[(3-methyl-2-quinoxalinyl)methylthio]phenyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-[(3-methylquinoxalin-2-yl)methylsulfanyl]phenyl]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-[(3-methylquinoxalin-2-yl)methylthio]phenyl]urea Formula: C23H18ClFN4OS MolecularWeight: 452.931623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H18ClFN4OS/c1-14-22(29-21-5-3-2-4-20(21)26-14)13-31-17-9-6-15(7-10-17)27-23(30)28-16-8-11-19(25)18(24)12-16/h2-12H,13H2,1H3,(H2,27,28,30)