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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4,5-dimethoxy-2-methyl-phenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(4,5-dimethoxy-2-methyl-benzyl)isothiourea Formula: C17H18ClFN2O2S MolecularWeight: 368.853423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O2S/c1-10-6-15(22-2)16(23-3)7-11(10)9-24-17(20)21-12-4-5-14(19)13(18)8-12/h4-8H,9H2,1-3H3,(H2,20,21)