ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-bromo-4-fluoro-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-4-fluorophenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-bromo-4-fluoro-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C15H19BrFN3O2S MolecularWeight: 404.297663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C15H19BrFN3O2S/c1-2-22-15(21)20-7-5-11(6-8-20)18-14(23)19-13-4-3-10(17)9-12(13)16/h3-4,9,11H,2,5-8H2,1H3,(H2,18,19,23)