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

Systemtic Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-2-one CAS Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-2-azepanone IUPAC Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-(phenylthio)propyl]azepan-2-one Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CCC(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27NOS/c1-18-12-13-22(24)23(16-14-18)17-15-21(19-8-4-2-5-9-19)25-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3/t18-,21+/m1/s1