2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H26N4O3S3/c1-3-14-29-19-7-5-4-6-18(19)23-20(26)16-30-21-9-8-17(15-22-21)31(27,28)25-12-10-24(2)11-13-25/h3-9,15H,1,10-14,16H2,2H3,(H,23,26)