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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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