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

Systemtic Name: ethyl 4-(6-fluoranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-fluoro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(6-fluoro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C14H17FN4O2S MolecularWeight: 324.373783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN4O2S/c1-2-21-14(20)19-5-3-18(4-6-19)12-8-11-10(7-9(12)15)16-13(22)17-11/h7-8H,2-6H2,1H3,(H2,16,17,22)