ethyl 4-(4-bromanyl-6-fluoranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-6-fluoranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-bromo-6-fluoro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(4-bromo-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(4-bromo-6-fluoro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C14H16BrFN4O2S MolecularWeight: 403.269843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2Br)NC(=S)N3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2Br)NC(=S)N3)F

InChI

InChI=1S/C14H16BrFN4O2S/c1-2-22-14(21)20-5-3-19(4-6-20)12-8(16)7-9-11(10(12)15)18-13(23)17-9/h7H,2-6H2,1H3,(H2,17,18,23)