4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate dihydrobromide

Systemtic Name: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate dihydrobromide Openeye Name: 3-phenyl-2-[4-(N'-phenylcarbamimidoyl)sulfanylbutyl]isothiourea dihydrobromide CAS Name: N'-phenylcarbamimidothioic acid 4-[[amino(phenylimino)methyl]thio]butyl ester dihydrobromide IUPAC Name: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate dihydrobromide Traditional Name: 3-phenyl-2-[4-[(N'-phenylamidino)thio]butyl]isothiourea dihydrobromide Formula: C18H24Br2N4S2 MolecularWeight: 520.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4S2.2BrH/c19-17(21-15-9-3-1-4-10-15)23-13-7-8-14-24-18(20)22-16-11-5-2-6-12-16;;/h1-6,9-12H,7-8,13-14H2,(H2,19,21)(H2,20,22);2*1H