(3-fluoranyl-4-methoxy-phenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-(3-fluoro-4-methoxy-benzyl)isothiourea Formula: C17H19FN2OS MolecularWeight: 318.408963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H19FN2OS/c1-11-4-5-12(2)15(8-11)20-17(19)22-10-13-6-7-16(21-3)14(18)9-13/h4-9H,10H2,1-3H3,(H2,19,20)