1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-prop-2-enylsulfanyl-benzimidazole

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 2-allylsulfanyl-1-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-2-(prop-2-enylthio)benzimidazole IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 2-(allylthio)-1-[(4-tosylpiperazino)methyl]benzimidazole Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4N=C3SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4N=C3SCC=C

InChI

InChI=1S/C22H26N4O2S2/c1-3-16-29-22-23-20-6-4-5-7-21(20)26(22)17-24-12-14-25(15-13-24)30(27,28)19-10-8-18(2)9-11-19/h3-11H,1,12-17H2,2H3