5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate bromide

Systemtic Name: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate bromide Openeye Name: 3-phenyl-2-[5-(N'-phenylcarbamimidoyl)sulfanylpentyl]isothiourea bromide CAS Name: N'-phenylcarbamimidothioic acid 5-[[amino(phenylimino)methyl]thio]pentyl ester bromide IUPAC Name: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate bromide Traditional Name: 3-phenyl-2-[5-[(N'-phenylamidino)thio]pentyl]isothiourea bromide Formula: C19H24BrN4S2- MolecularWeight: 452.45466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4S2.BrH/c20-18(22-16-10-4-1-5-11-16)24-14-8-3-9-15-25-19(21)23-17-12-6-2-7-13-17;/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,20,22)(H2,21,23);1H/p-1