[(1R)-1-phenylethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate

Systemtic Name: [(1R)-1-phenylethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate Openeye Name: 1-cyano-3-(3-fluorophenyl)-2-[(1R)-1-phenylethyl]isothiourea CAS Name: N-cyano-N'-(3-fluorophenyl)carbamimidothioic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] N-cyano-N'-(3-fluorophenyl)carbamimidothioate Traditional Name: 1-cyano-3-(3-fluorophenyl)-2-[(1R)-1-phenylethyl]isothiourea Formula: C16H14FN3S MolecularWeight: 299.365863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC(=NC2=CC(=CC=C2)F)NC#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC(=NC2=CC(=CC=C2)F)NC#N

InChI

InChI=1S/C16H14FN3S/c1-12(13-6-3-2-4-7-13)21-16(19-11-18)20-15-9-5-8-14(17)10-15/h2-10,12H,1H3,(H,19,20)/t12-/m1/s1