ethyl 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]piperazino]acetic acid ethyl ester Formula: C15H19ClFN3O2S MolecularWeight: 359.846663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H19ClFN3O2S/c1-2-22-14(21)10-19-5-7-20(8-6-19)15(23)18-11-3-4-13(17)12(16)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,18,23)