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

Systemtic Name: 2-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 2-[1-methyl-2-(N'-phenylcarbamimidoyl)sulfanyl-ethyl]-3-phenyl-isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 2-[[amino(phenylimino)methyl]thio]propyl ester dihydrobromide IUPAC Name: 2-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 2-[1-methyl-2-[(N'-phenylamidino)thio]ethyl]-3-phenyl-isothiourea dihydrobromide Formula: C17H22Br2N4S2 MolecularWeight: 506.32138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=NC1=CC=CC=C1)N)SC(=NC2=CC=CC=C2)N.Br.Br

Isomeric SMILES

CC(CSC(=NC1=CC=CC=C1)N)SC(=NC2=CC=CC=C2)N.Br.Br

InChI

InChI=1S/C17H20N4S2.2BrH/c1-13(23-17(19)21-15-10-6-3-7-11-15)12-22-16(18)20-14-8-4-2-5-9-14;;/h2-11,13H,12H2,1H3,(H2,18,20)(H2,19,21);2*1H