1-(1-adamantyl)-3-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]urea Openeye Name: 1-(1-adamantyl)-3-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]urea CAS Name: 1-(1-adamantyl)-3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]urea Traditional Name: 1-(1-adamantyl)-3-[(E)-(5-bromo-2-fluoro-benzylidene)amino]urea Formula: C18H21BrFN3O MolecularWeight: 394.281243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NN=CC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)N/N=C/C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C18H21BrFN3O/c19-15-1-2-16(20)14(6-15)10-21-23-17(24)22-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H2,22,23,24)/b21-10+