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

Systemtic Name: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate bromide Openeye Name: 3-phenyl-2-[4-(N'-phenylcarbamimidoyl)sulfanylbutyl]isothiourea bromide CAS Name: N'-phenylcarbamimidothioic acid 4-[[amino(phenylimino)methyl]thio]butyl ester bromide IUPAC Name: 4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate bromide Traditional Name: 3-phenyl-2-[4-[(N'-phenylamidino)thio]butyl]isothiourea bromide Formula: C18H22BrN4S2- MolecularWeight: 438.42808

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4S2.BrH/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);1H/p-1