1-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[(2-bromo-4-fluoroanilino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[(2-bromo-4-fluorophenyl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[(2-bromo-4-fluoro-phenyl)thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C17H23BrFN3OS MolecularWeight: 416.351423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C17H23BrFN3OS/c1-3-21(4-2)16(23)12-6-5-9-22(11-12)17(24)20-15-8-7-13(19)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,24)