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

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenoxy]phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoro-phenoxy]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[2-[(carbamimidoylthio)methyl]-4-fluorophenoxy]phenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenoxy]phenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]-4-fluoro-phenoxy]benzyl]isothiourea Formula: C16H17FN4OS2 MolecularWeight: 364.460783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)OC2=C(C=C(C=C2)F)CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)OC2=C(C=C(C=C2)F)CSC(=N)N

InChI

InChI=1S/C16H17FN4OS2/c17-12-5-6-14(11(7-12)9-24-16(20)21)22-13-4-2-1-3-10(13)8-23-15(18)19/h1-7H,8-9H2,(H3,18,19)(H3,20,21)