2-[[2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[2-methyl-3-[2-(4-methyl-1-piperazinyl)ethylthio]phenyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[2-methyl-3-[2-(4-methylpiperazino)ethylthio]benzyl]thio]-1H-benzimidazole Formula: C22H28N4S2 MolecularWeight: 412.61452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN2CCN(CC2)C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCN2CCN(CC2)C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4S2/c1-17-18(16-28-22-23-19-7-3-4-8-20(19)24-22)6-5-9-21(17)27-15-14-26-12-10-25(2)11-13-26/h3-9H,10-16H2,1-2H3,(H,23,24)