2-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylethyl N'-naphthalen-1-ylcarbamimidothioate bromide

Systemtic Name: 2-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylethyl N'-naphthalen-1-ylcarbamimidothioate bromide Openeye Name: 3-(1-naphthyl)-2-[2-[N'-(1-naphthyl)carbamimidoyl]sulfanylethyl]isothiourea bromide CAS Name: N'-(1-naphthalenyl)carbamimidothioic acid 2-[[amino(1-naphthalenylimino)methyl]thio]ethyl ester bromide IUPAC Name: 2-(N'-naphthalen-1-ylcarbamimidoyl)sulfanylethyl N'-naphthalen-1-ylcarbamimidothioate bromide Traditional Name: 3-(1-naphthyl)-2-[2-[[N'-(1-naphthyl)amidino]thio]ethyl]isothiourea bromide Formula: C24H22BrN4S2- MolecularWeight: 510.49228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N=C(N)SCCSC(=NC3=CC=CC4=CC=CC=C43)N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N=C(N)SCCSC(=NC3=CC=CC4=CC=CC=C43)N.[Br-]

InChI

InChI=1S/C24H22N4S2.BrH/c25-23(27-21-13-5-9-17-7-1-3-11-19(17)21)29-15-16-30-24(26)28-22-14-6-10-18-8-2-4-12-20(18)22;/h1-14H,15-16H2,(H2,25,27)(H2,26,28);1H/p-1