[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenoxy]-4-chloranyl-phenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenoxy]-4-chloranyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)-5-chloro-phenoxy]-5-fluoro-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[2-[(carbamimidoylthio)methyl]-4-fluorophenoxy]-4-chlorophenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenoxy]-4-chlorophenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]-5-chloro-phenoxy]-5-fluoro-benzyl]isothiourea Formula: C16H16ClFN4OS2 MolecularWeight: 398.905843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CSC(=N)N)OC2=C(C=CC(=C2)Cl)CSC(=N)N

Isomeric SMILES

C1=CC(=C(C=C1F)CSC(=N)N)OC2=C(C=CC(=C2)Cl)CSC(=N)N

InChI

InChI=1S/C16H16ClFN4OS2/c17-11-2-1-9(7-24-15(19)20)14(6-11)23-13-4-3-12(18)5-10(13)8-25-16(21)22/h1-6H,7-8H2,(H3,19,20)(H3,21,22)