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

Systemtic Name: (5R)-5-methyl-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenyl-propyl]azepan-2-one Openeye Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-(p-tolylsulfanyl)propyl]azepan-2-one CAS Name: (5R)-5-methyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone IUPAC Name: (5R)-5-methyl-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenylpropyl]azepan-2-one Traditional Name: (5R)-5-methyl-1-[(3S)-3-phenyl-3-(p-tolylthio)propyl]azepan-2-one Formula: C23H29NOS MolecularWeight: 367.54746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NOS/c1-18-8-11-21(12-9-18)26-22(20-6-4-3-5-7-20)15-17-24-16-14-19(2)10-13-23(24)25/h3-9,11-12,19,22H,10,13-17H2,1-2H3/t19-,22+/m1/s1