(3-fluoranyl-4-methoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C17H19FN2OS MolecularWeight: 318.408963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H19FN2OS/c1-12(14-6-4-3-5-7-14)20-17(19)22-11-13-8-9-16(21-2)15(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20)/t12-/m1/s1