2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-N-phenyl-acetamide Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)NC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)OC(=N5)SCC(=O)NC6=CC=CC=C6

InChI

InChI=1S/C25H26N2O2S/c28-23(26-20-4-2-1-3-5-20)15-30-24-27-21-11-19(6-7-22(21)29-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2,(H,26,28)