8-(N'-phenylcarbamimidoyl)sulfanyloctyl N'-phenylcarbamimidothioate dihydrobromide

Systemtic Name: 8-(N'-phenylcarbamimidoyl)sulfanyloctyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 3-phenyl-2-[8-(N'-phenylcarbamimidoyl)sulfanyloctyl]isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 8-[[amino(phenylimino)methyl]thio]octyl ester dihydrobromide IUPAC Name: 8-(N'-phenylcarbamimidoyl)sulfanyloctyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 3-phenyl-2-[8-[(N'-phenylamidino)thio]octyl]isothiourea dihydrobromide Formula: C22H32Br2N4S2 MolecularWeight: 576.45428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4S2.2BrH/c23-21(25-19-13-7-5-8-14-19)27-17-11-3-1-2-4-12-18-28-22(24)26-20-15-9-6-10-16-20;;/h5-10,13-16H,1-4,11-12,17-18H2,(H2,23,25)(H2,24,26);2*1H