ethyl 4-[[3-[bis(fluoranyl)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-[bis(fluoranyl)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(difluoromethyl)-2-thioxo-benzimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(difluoromethyl)-2-sulfanylidene-1-benzimidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(difluoromethyl)-2-sulfanylidenebenzimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[3-(difluoromethyl)-2-thioxo-benzimidazol-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21F2N4O2S+ MolecularWeight: 371.425346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C(F)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C(F)F

InChI

InChI=1S/C16H20F2N4O2S/c1-2-24-16(23)20-9-7-19(8-10-20)11-21-12-5-3-4-6-13(12)22(14(17)18)15(21)25/h3-6,14H,2,7-11H2,1H3/p+1