[(1R,2S)-2-(dibutylamino)-1-phenyl-propyl] thiocyanate

Systemtic Name: [(1R,2S)-2-(dibutylamino)-1-phenyl-propyl] thiocyanate Openeye Name: [(1R,2S)-2-(dibutylamino)-1-phenyl-propyl] thiocyanate CAS Name: thiocyanic acid [(1R,2S)-2-(dibutylamino)-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-(dibutylamino)-1-phenylpropyl] thiocyanate Traditional Name: thiocyanic acid [(1R,2S)-2-(dibutylamino)-1-phenyl-propyl] ester Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(C)C(C1=CC=CC=C1)SC#N

Isomeric SMILES

CCCCN(CCCC)[C@@H](C)[C@@H](C1=CC=CC=C1)SC#N

InChI

InChI=1S/C18H28N2S/c1-4-6-13-20(14-7-5-2)16(3)18(21-15-19)17-11-9-8-10-12-17/h8-12,16,18H,4-7,13-14H2,1-3H3/t16-,18-/m0/s1