(2-chloranyl-6-fluoranyl-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C16H16ClFN2S MolecularWeight: 322.828043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H16ClFN2S/c1-11(12-6-3-2-4-7-12)20-16(19)21-10-13-14(17)8-5-9-15(13)18/h2-9,11H,10H2,1H3,(H2,19,20)/t11-/m1/s1