tert-butyl 4-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23FN4O3S MolecularWeight: 406.474323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4O3S/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)16(25)15-12-21-17(28)24(15)14-6-4-13(20)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,21,28)