1-[4-(4-fluoranylphenoxy)butyl]-4-isothiocyanato-piperidine

Systemtic Name: 1-[4-(4-fluoranylphenoxy)butyl]-4-isothiocyanato-piperidine Openeye Name: 1-[4-(4-fluorophenoxy)butyl]-4-isothiocyanato-piperidine CAS Name: 1-[4-(4-fluorophenoxy)butyl]-4-isothiocyanatopiperidine IUPAC Name: 1-[4-(4-fluorophenoxy)butyl]-4-isothiocyanatopiperidine Traditional Name: 1-[4-(4-fluorophenoxy)butyl]-4-isothiocyanato-piperidine Formula: C16H21FN2OS MolecularWeight: 308.414143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=C=S)CCCCOC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCC1N=C=S)CCCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2OS/c17-14-3-5-16(6-4-14)20-12-2-1-9-19-10-7-15(8-11-19)18-13-21/h3-6,15H,1-2,7-12H2