methyl (NE)-N-(N'-phenylcarbamimidoyl)iminocarbamimidothioate

Systemtic Name: methyl (NE)-N-(N'-phenylcarbamimidoyl)iminocarbamimidothioate Openeye Name: (1E)-2-methyl-1-(N'-phenylcarbamimidoyl)imino-isothiourea CAS Name: (NE)-N-[amino(phenylimino)methyl]iminocarbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N-(N'-phenylcarbamimidoyl)iminocarbamimidothioate Traditional Name: (1E)-2-methyl-1-(N'-phenylamidino)imino-isothiourea Formula: C9H11N5S MolecularWeight: 221.28214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N=NC(=NC1=CC=CC=C1)N

Isomeric SMILES

CSC(=N)/N=N/C(=NC1=CC=CC=C1)N

InChI

InChI=1S/C9H11N5S/c1-15-9(11)14-13-8(10)12-7-5-3-2-4-6-7/h2-6,11H,1H3,(H2,10,12)/b11-9?,14-13+