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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2,5-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(=C(C=C1)C)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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