(3-fluoranyl-4-methoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-(3-fluoro-4-methoxy-benzyl)isothiourea Formula: C16H17FN2OS MolecularWeight: 304.382383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NCC2=CC=CC=C2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NCC2=CC=CC=C2)N)F

InChI

InChI=1S/C16H17FN2OS/c1-20-15-8-7-13(9-14(15)17)11-21-16(18)19-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,18,19)