1-[(2S,3S)-3-iodanyl-2-bicyclo[2.1.1]hexanyl]-3-phenyl-urea

Systemtic Name: 1-[(2S,3S)-3-iodanyl-2-bicyclo[2.1.1]hexanyl]-3-phenyl-urea Openeye Name: 1-[(2S,3S)-3-iodo-2-bicyclo[2.1.1]hexanyl]-3-phenyl-urea CAS Name: 1-[(2S,3S)-3-iodo-2-bicyclo[2.1.1]hexanyl]-3-phenylurea IUPAC Name: 1-[(2S,3S)-3-iodo-2-bicyclo[2.1.1]hexanyl]-3-phenylurea Traditional Name: 1-[(2S,3S)-3-iodo-2-bicyclo[2.1.1]hexanyl]-3-phenyl-urea Formula: C13H15IN2O MolecularWeight: 342.17547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1C(C2NC(=O)NC3=CC=CC=C3)I

Isomeric SMILES

C1C2CC1[C@@H]([C@H]2NC(=O)NC3=CC=CC=C3)I

InChI

InChI=1S/C13H15IN2O/c14-11-8-6-9(7-8)12(11)16-13(17)15-10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H2,15,16,17)/t8?,9?,11-,12-/m0/s1