[8-(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate

Systemtic Name: [8-(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate Openeye Name: 2-[[8-(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [8-[(carbamimidoylthio)methyl]-1-biphenylenyl]methyl ester IUPAC Name: [8-(carbamimidoylsulfanylmethyl)biphenylen-1-yl]methyl carbamimidothioate Traditional Name: 2-[[8-[(amidinothio)methyl]biphenylen-1-yl]methyl]isothiourea Formula: C16H16N4S2 MolecularWeight: 328.45504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C=CC=C(C3=C2C(=C1)CSC(=N)N)CSC(=N)N

Isomeric SMILES

C1=CC2=C3C=CC=C(C3=C2C(=C1)CSC(=N)N)CSC(=N)N

InChI

InChI=1S/C16H16N4S2/c17-15(18)21-7-9-3-1-5-11-12-6-2-4-10(8-22-16(19)20)14(12)13(9)11/h1-6H,7-8H2,(H3,17,18)(H3,19,20)