methyl N-(1H-imidazol-5-yl)-N'-[N'-(phenylmethyl)carbamimidoyl]carbamimidothioate

Systemtic Name: methyl N-(1H-imidazol-5-yl)-N'-[N'-(phenylmethyl)carbamimidoyl]carbamimidothioate Openeye Name: 3-(N'-benzylcarbamimidoyl)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea CAS Name: N'-[amino-(phenylmethyl)iminomethyl]-N-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(N'-benzylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate Traditional Name: 3-(N'-benzylamidino)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea Formula: C13H16N6S MolecularWeight: 288.37134

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(=NCC1=CC=CC=C1)N)NC2=CN=CN2

Isomeric SMILES

CS/C(=N\C(=NCC1=CC=CC=C1)N)/NC2=CN=CN2

InChI

InChI=1S/C13H16N6S/c1-20-13(18-11-8-15-9-17-11)19-12(14)16-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,17)(H3,14,16,18,19)