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

Systemtic Name: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate bromide Openeye Name: 3-phenyl-2-[3-(N'-phenylcarbamimidoyl)sulfanylpropyl]isothiourea bromide CAS Name: N'-phenylcarbamimidothioic acid 3-[[amino(phenylimino)methyl]thio]propyl ester bromide IUPAC Name: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate bromide Traditional Name: 3-phenyl-2-[3-[(N'-phenylamidino)thio]propyl]isothiourea bromide Formula: C17H20BrN4S2- MolecularWeight: 424.4015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4S2.BrH/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);1H/p-1