3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3,4-dimethylphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-[(3,4-dimethylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3,4-dimethylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-3-[(3,4-dimethylphenyl)thio]propan-1-one Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C23H28N2O2S/c1-17-4-9-22(16-18(17)2)28-15-10-23(27)25-13-11-24(12-14-25)21-7-5-20(6-8-21)19(3)26/h4-9,16H,10-15H2,1-3H3