(3-fluorophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (3-fluorophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-(3-fluorobenzyl)isothiourea Formula: C16H17FN2S MolecularWeight: 288.382983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2S/c1-11-6-7-12(2)15(8-11)19-16(18)20-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H2,18,19)