(5R)-5-tert-butyl-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenyl-propyl]azepan-2-one

Systemtic Name: (5R)-5-tert-butyl-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenyl-propyl]azepan-2-one Openeye Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-(p-tolylsulfanyl)propyl]azepan-2-one CAS Name: (5R)-5-tert-butyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone IUPAC Name: (5R)-5-tert-butyl-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenylpropyl]azepan-2-one Traditional Name: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-(p-tolylthio)propyl]azepan-2-one Formula: C26H35NOS MolecularWeight: 409.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCN2CCC(CCC2=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H35NOS/c1-20-10-13-23(14-11-20)29-24(21-8-6-5-7-9-21)17-19-27-18-16-22(26(2,3)4)12-15-25(27)28/h5-11,13-14,22,24H,12,15-19H2,1-4H3/t22-,24+/m1/s1