2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H28N2O2S/c1-17-12-18(2)14-19(13-17)15-27-16-22(25)24-10-8-23(9-11-24)20-4-6-21(26-3)7-5-20/h4-7,12-14H,8-11,15-16H2,1-3H3