[8-(carbamimidoylsulfanylmethyl)-3,6-bis(fluoranyl)biphenylen-1-yl]methyl carbamimidothioate

Systemtic Name: [8-(carbamimidoylsulfanylmethyl)-3,6-bis(fluoranyl)biphenylen-1-yl]methyl carbamimidothioate Openeye Name: 2-[[8-(carbamimidoylsulfanylmethyl)-3,6-difluoro-biphenylen-1-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [8-[(carbamimidoylthio)methyl]-3,6-difluoro-1-biphenylenyl]methyl ester IUPAC Name: [8-(carbamimidoylsulfanylmethyl)-3,6-difluorobiphenylen-1-yl]methyl carbamimidothioate Traditional Name: 2-[[8-[(amidinothio)methyl]-3,6-difluoro-biphenylen-1-yl]methyl]isothiourea Formula: C16H14F2N4S2 MolecularWeight: 364.435966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C3C(=CC(=CC3=C21)F)CSC(=N)N)CSC(=N)N)F

Isomeric SMILES

C1=C(C=C(C2=C3C(=CC(=CC3=C21)F)CSC(=N)N)CSC(=N)N)F

InChI

InChI=1S/C16H14F2N4S2/c17-9-1-7(5-23-15(19)20)13-11(3-9)12-4-10(18)2-8(14(12)13)6-24-16(21)22/h1-4H,5-6H2,(H3,19,20)(H3,21,22)