2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylthio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-18-14-19(2)16-22(15-18)28-12-13-29-17-23(26)25-10-8-24(9-11-25)20-4-6-21(27-3)7-5-20/h4-7,14-16H,8-13,17H2,1-3H3