(5S)-5-tert-butyl-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-2-one

Systemtic Name: (5S)-5-tert-butyl-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-2-one Openeye Name: (5S)-1-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-5-tert-butyl-azepan-2-one CAS Name: (5S)-5-tert-butyl-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-2-azepanone IUPAC Name: (5S)-5-tert-butyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one Traditional Name: (5S)-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]-5-tert-butyl-azepan-2-one Formula: C25H33NOS MolecularWeight: 395.60062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C25H33NOS/c1-25(2,3)21-14-15-24(27)26(17-16-21)22(18-20-10-6-4-7-11-20)19-28-23-12-8-5-9-13-23/h4-13,21-22H,14-19H2,1-3H3/t21-,22-/m0/s1