3-(4-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(p-tolylsulfanyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-methylphenyl)thio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(p-tolylthio)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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