(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone

Systemtic Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: (2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: (2S)-1-[4-(2,3-dimethylphenyl)piperazino]-2-phenyl-2-(phenylthio)ethanone Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2OS/c1-20-10-9-15-24(21(20)2)27-16-18-28(19-17-27)26(29)25(22-11-5-3-6-12-22)30-23-13-7-4-8-14-23/h3-15,25H,16-19H2,1-2H3/t25-/m0/s1