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

Systemtic Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(4-methylphenyl)sulfanyl-propyl]azepan-2-one Openeye Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(p-tolylsulfanyl)propyl]azepan-2-one CAS Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-[(4-methylphenyl)thio]propyl]-2-azepanone IUPAC Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(4-methylphenyl)sulfanylpropyl]azepan-2-one Traditional Name: (5R)-5-methyl-1-[(2R)-2-methyl-3-(p-tolylthio)propyl]azepan-2-one Formula: C18H27NOS MolecularWeight: 305.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)CC(C)CSC2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CCC(=O)N(CC1)C[C@@H](C)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C18H27NOS/c1-14-4-7-17(8-5-14)21-13-16(3)12-19-11-10-15(2)6-9-18(19)20/h4-5,7-8,15-16H,6,9-13H2,1-3H3/t15-,16-/m1/s1