2-[(4-methylphenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(p-tolylmethylsulfanyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O3S3/c1-15-4-6-16(7-5-15)13-24-14-17(21)19-8-10-20(11-9-19)26(22,23)18-3-2-12-25-18/h2-7,12H,8-11,13-14H2,1H3