methyl 3-[[N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[N'-(3-chloro-4-fluoro-phenyl)carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 3-[[[amino-(3-chloro-4-fluorophenyl)iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[N'-(3-chloro-4-fluoro-phenyl)amidino]thio]methyl]benzoic acid methyl ester Formula: C16H14ClFN2O2S MolecularWeight: 352.810963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O2S/c1-22-15(21)11-4-2-3-10(7-11)9-23-16(19)20-12-5-6-14(18)13(17)8-12/h2-8H,9H2,1H3,(H2,19,20)