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

Systemtic Name: (2S)-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: (2S)-1-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2S)-1-[(2S)-4-methyl-2-phenyl-1-piperazinyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: (2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: (2S)-1-[(2S)-4-methyl-2-phenyl-piperazino]-2-(p-tolylthio)propan-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCN(CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)N2CCN(C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-16-9-11-19(12-10-16)25-17(2)21(24)23-14-13-22(3)15-20(23)18-7-5-4-6-8-18/h4-12,17,20H,13-15H2,1-3H3/t17-,20+/m0/s1