ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3-fluoroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-fluorophenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3O2S/c1-2-20-14(19)18-8-6-17(7-9-18)13(21)16-12-5-3-4-11(15)10-12/h3-5,10H,2,6-9H2,1H3,(H,16,21)