2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate dihydrobromide

Systemtic Name: 2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 3-phenyl-2-[2-(N'-phenylcarbamimidoyl)sulfanylethyl]isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 2-[[amino(phenylimino)methyl]thio]ethyl ester dihydrobromide IUPAC Name: 2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 3-phenyl-2-[2-[(N'-phenylamidino)thio]ethyl]isothiourea dihydrobromide Formula: C16H20Br2N4S2 MolecularWeight: 492.2948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCCSC(=NC2=CC=CC=C2)N.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCCSC(=NC2=CC=CC=C2)N.Br.Br

InChI

InChI=1S/C16H18N4S2.2BrH/c17-15(19-13-7-3-1-4-8-13)21-11-12-22-16(18)20-14-9-5-2-6-10-14;;/h1-10H,11-12H2,(H2,17,19)(H2,18,20);2*1H