2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate bromide

Systemtic Name: 2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate bromide Openeye Name: 3-phenyl-2-[2-(N'-phenylcarbamimidoyl)sulfanylethyl]isothiourea bromide CAS Name: N'-phenylcarbamimidothioic acid 2-[[amino(phenylimino)methyl]thio]ethyl ester bromide IUPAC Name: 2-(N'-phenylcarbamimidoyl)sulfanylethyl N'-phenylcarbamimidothioate bromide Traditional Name: 3-phenyl-2-[2-[(N'-phenylamidino)thio]ethyl]isothiourea bromide Formula: C16H18BrN4S2- MolecularWeight: 410.37492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCCSC(=NC2=CC=CC=C2)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCCSC(=NC2=CC=CC=C2)N.[Br-]

InChI

InChI=1S/C16H18N4S2.BrH/c17-15(19-13-7-3-1-4-8-13)21-11-12-22-16(18)20-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H2,17,19)(H2,18,20);1H/p-1