[4,5,8-tris(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate

Systemtic Name: [4,5,8-tris(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate Openeye Name: 2-[[4,5,8-tris(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [4,5,8-tris[(carbamimidoylthio)methyl]-1-biphenylenyl]methyl ester IUPAC Name: [4,5,8-tris(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate Traditional Name: 2-[[4,5,8-tris[(amidinothio)methyl]biphenylen-1-yl]methyl]isothiourea Formula: C20H24N8S4 MolecularWeight: 504.71816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1CSC(=N)N)C3=C(C=CC(=C23)CSC(=N)N)CSC(=N)N)CSC(=N)N

Isomeric SMILES

C1=CC(=C2C(=C1CSC(=N)N)C3=C(C=CC(=C23)CSC(=N)N)CSC(=N)N)CSC(=N)N

InChI

InChI=1S/C20H24N8S4/c21-17(22)29-5-9-1-2-10(6-30-18(23)24)14-13(9)15-11(7-31-19(25)26)3-4-12(16(14)15)8-32-20(27)28/h1-4H,5-8H2,(H3,21,22)(H3,23,24)(H3,25,26)(H3,27,28)