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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NOS/c1-18-8-11-22(12-9-18)26-17-21(16-20-6-4-3-5-7-20)24-15-14-19(2)10-13-23(24)25/h3-9,11-12,19,21H,10,13-17H2,1-2H3/t19-,21-/m0/s1