2-[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenyl]sulfanylphenyl]ethyl carbamimidothioate

Systemtic Name: 2-[2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenyl]sulfanylphenyl]ethyl carbamimidothioate Openeye Name: 2-[[2-[2-(2-carbamimidoylsulfanylethyl)phenyl]sulfanyl-5-fluoro-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid 2-[2-[[2-[(carbamimidoylthio)methyl]-4-fluorophenyl]thio]phenyl]ethyl ester IUPAC Name: 2-[2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]sulfanylphenyl]ethyl carbamimidothioate Traditional Name: 2-[2-[[2-[2-(amidinothio)ethyl]phenyl]thio]-5-fluoro-benzyl]isothiourea Formula: C17H19FN4S3 MolecularWeight: 394.552963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCSC(=N)N)SC2=C(C=C(C=C2)F)CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCSC(=N)N)SC2=C(C=C(C=C2)F)CSC(=N)N

InChI

InChI=1S/C17H19FN4S3/c18-13-5-6-15(12(9-13)10-24-17(21)22)25-14-4-2-1-3-11(14)7-8-23-16(19)20/h1-6,9H,7-8,10H2,(H3,19,20)(H3,21,22)