5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide

Systemtic Name: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 3-phenyl-2-[5-(N'-phenylcarbamimidoyl)sulfanylpentyl]isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 5-[[amino(phenylimino)methyl]thio]pentyl ester dihydrobromide IUPAC Name: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 3-phenyl-2-[5-[(N'-phenylamidino)thio]pentyl]isothiourea dihydrobromide Formula: C19H26Br2N4S2 MolecularWeight: 534.37454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4S2.2BrH/c20-18(22-16-10-4-1-5-11-16)24-14-8-3-9-15-25-19(21)23-17-12-6-2-7-13-17;;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,20,22)(H2,21,23);2*1H