3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide

Systemtic Name: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 3-phenyl-2-[3-(N'-phenylcarbamimidoyl)sulfanylpropyl]isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 3-[[amino(phenylimino)methyl]thio]propyl ester dihydrobromide IUPAC Name: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 3-phenyl-2-[3-[(N'-phenylamidino)thio]propyl]isothiourea dihydrobromide Formula: C17H22Br2N4S2 MolecularWeight: 506.32138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S2.2BrH/c18-16(20-14-8-3-1-4-9-14)22-12-7-13-23-17(19)21-15-10-5-2-6-11-15;;/h1-6,8-11H,7,12-13H2,(H2,18,20)(H2,19,21);2*1H