ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-bromo-4-fluoro-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2-bromo-4-fluoro-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17BrFN3O2S MolecularWeight: 390.271083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C14H17BrFN3O2S/c1-2-21-14(20)19-7-5-18(6-8-19)13(22)17-12-4-3-10(16)9-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,17,22)