6-fluoranyl-2-pentan-3-ylsulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-fluoranyl-2-pentan-3-ylsulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 2-(1-ethylpropylsulfanyl)-6-fluoro-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-fluoro-2-(pentan-3-ylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-fluoro-2-pentan-3-ylsulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 2-(1-ethylpropylthio)-6-fluoro-5-piperazino-1H-benzimidazole dihydrochloride Formula: C16H25Cl2FN4S MolecularWeight: 395.365903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)F)N3CCNCC3.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)F)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C16H23FN4S.2ClH/c1-3-11(4-2)22-16-19-13-9-12(17)15(10-14(13)20-16)21-7-5-18-6-8-21;;/h9-11,18H,3-8H2,1-2H3,(H,19,20);2*1H