(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(3-chloro-4-fluoro-phenyl)isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(3-chloro-4-fluoro-phenyl)isothiourea Formula: C20H24ClFN2S MolecularWeight: 378.934363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)C)C(C)(C)C

InChI

InChI=1S/C20H24ClFN2S/c1-12-8-14(20(3,4)5)9-13(2)16(12)11-25-19(23)24-15-6-7-18(22)17(21)10-15/h6-10H,11H2,1-5H3,(H2,23,24)