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

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluoranyl-phenyl]carbonylphenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)benzoyl]-5-fluoro-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[[2-[(carbamimidoylthio)methyl]-4-fluorophenyl]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)-4-fluorobenzoyl]phenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]benzoyl]-5-fluoro-benzyl]isothiourea Formula: C17H17FN4OS2 MolecularWeight: 376.471483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4OS2/c18-12-5-6-14(11(7-12)9-25-17(21)22)15(23)13-4-2-1-3-10(13)8-24-16(19)20/h1-7H,8-9H2,(H3,19,20)(H3,21,22)