ethyl 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3S/c1-2-26-18(25)23-9-7-22(8-10-23)16(24)12-27-17-20-11-15(21-17)13-3-5-14(19)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)