3-(1H-imidazole-1,3-diium-4-yl)propyl N,N'-dicyclohexylcarbamimidothioate dibromide

Systemtic Name: 3-(1H-imidazole-1,3-diium-4-yl)propyl N,N'-dicyclohexylcarbamimidothioate dibromide Openeye Name: 1,3-dicyclohexyl-2-[3-(1H-imidazole-1,3-diium-4-yl)propyl]isothiourea dibromide CAS Name: N,N'-dicyclohexylcarbamimidothioic acid 3-(1H-imidazole-1,3-diium-4-yl)propyl ester dibromide IUPAC Name: 3-(1H-imidazole-1,3-diium-4-yl)propyl N,N'-dicyclohexylcarbamimidothioate dibromide Traditional Name: 1,3-dicyclohexyl-2-[3-(1H-imidazole-1,3-diium-4-yl)propyl]isothiourea dibromide Formula: C19H34Br2N4S MolecularWeight: 510.37306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)SCCCC3=C[NH2+]C=[NH+]3.[Br-].[Br-]

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)SCCCC3=C[NH2+]C=[NH+]3.[Br-].[Br-]

InChI

InChI=1S/C19H32N4S.2BrH/c1-3-8-16(9-4-1)22-19(23-17-10-5-2-6-11-17)24-13-7-12-18-14-20-15-21-18;;/h14-17H,1-13H2,(H,20,21)(H,22,23);2*1H