3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]propyl carbamimidothioate dihydrobromide

Systemtic Name: 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]propyl carbamimidothioate dihydrobromide Openeye Name: 2-[3-[3-(1,3-dioxoisoindolin-2-yl)propylamino]propyl]isothiourea dihydrobromide CAS Name: carbamimidothioic acid 3-[3-(1,3-dioxo-2-isoindolyl)propylamino]propyl ester dihydrobromide IUPAC Name: 3-[3-(1,3-dioxoisoindol-2-yl)propylamino]propyl carbamimidothioate dihydrobromide Traditional Name: 2-[3-(3-phthalimidopropylamino)propyl]isothiourea dihydrobromide Formula: C15H22Br2N4O2S MolecularWeight: 482.23378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCSC(=N)N.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCSC(=N)N.Br.Br

InChI

InChI=1S/C15H20N4O2S.2BrH/c16-15(17)22-10-4-8-18-7-3-9-19-13(20)11-5-1-2-6-12(11)14(19)21;;/h1-2,5-6,18H,3-4,7-10H2,(H3,16,17);2*1H