3-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylpropyl N'-naphthalen-1-ylcarbamimidothioate hydrobromide

Systemtic Name: 3-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylpropyl N'-naphthalen-1-ylcarbamimidothioate hydrobromide Openeye Name: 3-(1-naphthyl)-2-[3-[N'-(1-naphthyl)carbamimidoyl]sulfanylpropyl]isothiourea hydrobromide CAS Name: N'-(1-naphthalenyl)carbamimidothioic acid 3-[[amino(1-naphthalenylimino)methyl]thio]propyl ester hydrobromide IUPAC Name: 3-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylpropyl N'-naphthalen-1-ylcarbamimidothioate hydrobromide Traditional Name: 3-(1-naphthyl)-2-[3-[[N'-(1-naphthyl)amidino]thio]propyl]isothiourea hydrobromide Formula: C25H25BrN4S2 MolecularWeight: 525.5268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N=C(N)SCCCSC(=NC3=CC=CC4=CC=CC=C43)N.Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N=C(N)SCCCSC(=NC3=CC=CC4=CC=CC=C43)N.Br

InChI

InChI=1S/C25H24N4S2.BrH/c26-24(28-22-14-5-10-18-8-1-3-12-20(18)22)30-16-7-17-31-25(27)29-23-15-6-11-19-9-2-4-13-21(19)23;/h1-6,8-15H,7,16-17H2,(H2,26,28)(H2,27,29);1H