(6S)-4-(3,5-dimethoxyphenyl)carbonyl-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one

Systemtic Name: (6S)-4-(3,5-dimethoxyphenyl)carbonyl-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one Openeye Name: (6S)-4-(3,5-dimethoxybenzoyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one CAS Name: (6S)-4-[(3,5-dimethoxyphenyl)-oxomethyl]-6-methyl-1-[2-(methylthio)phenyl]-2-piperazinone IUPAC Name: (6S)-4-(3,5-dimethoxybenzoyl)-6-methyl-1-(2-methylsulfanylphenyl)piperazin-2-one Traditional Name: (6S)-4-(3,5-dimethoxybenzoyl)-6-methyl-1-[2-(methylthio)phenyl]piperazin-2-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1C2=CC=CC=C2SC)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[C@H]1CN(CC(=O)N1C2=CC=CC=C2SC)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H24N2O4S/c1-14-12-22(21(25)15-9-16(26-2)11-17(10-15)27-3)13-20(24)23(14)18-7-5-6-8-19(18)28-4/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1