1-(3-bromophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea

Systemtic Name: 1-(3-bromophenyl)-3-[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]urea Openeye Name: 1-(3-bromophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]urea CAS Name: 1-(3-bromophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]urea Traditional Name: 1-(3-bromophenyl)-3-[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]urea Formula: C25H28BrN3O4 MolecularWeight: 514.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)CO)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNC(CC2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Br)CO)O

InChI

InChI=1S/C25H28BrN3O4/c26-19-5-4-6-21(14-19)29-25(32)28-20-11-9-18(10-12-20)13-22(16-30)27-15-23(31)17-33-24-7-2-1-3-8-24/h1-12,14,22-23,27,30-31H,13,15-17H2,(H2,28,29,32)