N-[1-(1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]-3-[(2-cyanophenyl)methylsulfanyl]propanamide

Systemtic Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]-3-[(2-cyanophenyl)methylsulfanyl]propanamide Openeye Name: N-[1-[1,3-benzoxazol-2-yl(hydroxy)methyl]-3-phenyl-propyl]-3-[(2-cyanophenyl)methylsulfanyl]propanamide CAS Name: N-[1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-3-[(2-cyanophenyl)methylthio]propanamide IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-3-[(2-cyanophenyl)methylsulfanyl]propanamide Traditional Name: N-[1-[1,3-benzoxazol-2-yl(hydroxy)methyl]-3-phenyl-propyl]-3-[(2-cyanobenzyl)thio]propionamide Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(C2=NC3=CC=CC=C3O2)O)NC(=O)CCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(C2=NC3=CC=CC=C3O2)O)NC(=O)CCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C28H27N3O3S/c29-18-21-10-4-5-11-22(21)19-35-17-16-26(32)30-24(15-14-20-8-2-1-3-9-20)27(33)28-31-23-12-6-7-13-25(23)34-28/h1-13,24,27,33H,14-17,19H2,(H,30,32)