6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate hydrobromide

Systemtic Name: 6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate hydrobromide Openeye Name: 3-phenyl-2-[6-(N'-phenylcarbamimidoyl)sulfanylhexyl]isothiourea hydrobromide CAS Name: N'-phenylcarbamimidothioic acid 6-[[amino(phenylimino)methyl]thio]hexyl ester hydrobromide IUPAC Name: 6-(N'-phenylcarbamimidoyl)sulfanylhexyl N'-phenylcarbamimidothioate hydrobromide Traditional Name: 3-phenyl-2-[6-[(N'-phenylamidino)thio]hexyl]isothiourea hydrobromide Formula: C20H27BrN4S2 MolecularWeight: 467.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4S2.BrH/c21-19(23-17-11-5-3-6-12-17)25-15-9-1-2-10-16-26-20(22)24-18-13-7-4-8-14-18;/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23)(H2,22,24);1H