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

Systemtic Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-(phenylthio)propyl]azepan-2-one Formula: C25H33NOS MolecularWeight: 395.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CCC(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H33NOS/c1-25(2,3)21-14-15-24(27)26(18-16-21)19-17-23(20-10-6-4-7-11-20)28-22-12-8-5-9-13-22/h4-13,21,23H,14-19H2,1-3H3/t21-,23+/m1/s1