(2-chloranyl-6-fluoranyl-phenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-(2,6-dimethylphenyl)isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 2-(2-chloro-6-fluoro-benzyl)-3-(2,6-dimethylphenyl)isothiourea Formula: C16H16ClFN2S MolecularWeight: 322.828043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=C(C=CC=C2Cl)F

InChI

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