[6-(carbamimidoylsulfanylmethyl)-8-chloranyl-2-fluoranyl-dibenzothiophen-4-yl]methyl carbamimidothioate

Systemtic Name: [6-(carbamimidoylsulfanylmethyl)-8-chloranyl-2-fluoranyl-dibenzothiophen-4-yl]methyl carbamimidothioate Openeye Name: 2-[[6-(carbamimidoylsulfanylmethyl)-2-chloro-8-fluoro-dibenzothiophen-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [6-[(carbamimidoylthio)methyl]-8-chloro-2-fluoro-4-dibenzothiophenyl]methyl ester IUPAC Name: [6-(carbamimidoylsulfanylmethyl)-8-chloro-2-fluorodibenzothiophen-4-yl]methyl carbamimidothioate Traditional Name: 2-[[6-[(amidinothio)methyl]-2-chloro-8-fluoro-dibenzothiophen-4-yl]methyl]isothiourea Formula: C16H14ClFN4S3 MolecularWeight: 412.955563

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C3=CC(=CC(=C3SC2=C1CSC(=N)N)CSC(=N)N)Cl)F

Isomeric SMILES

C1=C(C=C2C3=CC(=CC(=C3SC2=C1CSC(=N)N)CSC(=N)N)Cl)F

InChI

InChI=1S/C16H14ClFN4S3/c17-9-1-7(5-23-15(19)20)13-11(3-9)12-4-10(18)2-8(14(12)25-13)6-24-16(21)22/h1-4H,5-6H2,(H3,19,20)(H3,21,22)