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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-(3-methoxyphenyl)isothiourea Formula: C16H17FN2O2S MolecularWeight: 320.381783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NC2=CC(=CC=C2)OC)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NC2=CC(=CC=C2)OC)N)F

InChI

InChI=1S/C16H17FN2O2S/c1-20-13-5-3-4-12(9-13)19-16(18)22-10-11-6-7-15(21-2)14(17)8-11/h3-9H,10H2,1-2H3,(H2,18,19)