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

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2,5-dimethylphenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(2,5-dimethylbenzyl)isothiourea Formula: C16H16ClFN2S MolecularWeight: 322.828043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NC2=CC(=C(C=C2)F)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NC2=CC(=C(C=C2)F)Cl)N

InChI

InChI=1S/C16H16ClFN2S/c1-10-3-4-11(2)12(7-10)9-21-16(19)20-13-5-6-15(18)14(17)8-13/h3-8H,9H2,1-2H3,(H2,19,20)