[(1R,2S)-1-[(4-fluorophenyl)amino]-4-oxidanylidene-1,4-diphenyl-butan-2-yl] thiocyanate

Systemtic Name: [(1R,2S)-1-[(4-fluorophenyl)amino]-4-oxidanylidene-1,4-diphenyl-butan-2-yl] thiocyanate Openeye Name: [(1S)-1-[(R)-(4-fluoroanilino)-phenyl-methyl]-3-oxo-3-phenyl-propyl] thiocyanate CAS Name: thiocyanic acid [(1R,2S)-1-(4-fluoroanilino)-4-oxo-1,4-diphenylbutan-2-yl] ester IUPAC Name: [(1R,2S)-1-(4-fluoroanilino)-4-oxo-1,4-diphenylbutan-2-yl] thiocyanate Traditional Name: thiocyanic acid [(1S)-1-[(R)-(4-fluoroanilino)-phenyl-methyl]-3-keto-3-phenyl-propyl] ester Formula: C23H19FN2OS MolecularWeight: 390.473163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC(=O)C2=CC=CC=C2)SC#N)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](CC(=O)C2=CC=CC=C2)SC#N)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN2OS/c24-19-11-13-20(14-12-19)26-23(18-9-5-2-6-10-18)22(28-16-25)15-21(27)17-7-3-1-4-8-17/h1-14,22-23,26H,15H2/t22-,23+/m0/s1