2-[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]ethyl carbamimidothioate hydrobromide

Systemtic Name: 2-[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]ethyl carbamimidothioate hydrobromide Openeye Name: 2-[2-(2,5-dioxo-4,4-diphenyl-imidazolidin-1-yl)ethyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 2-(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)ethyl ester hydrobromide IUPAC Name: 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethyl carbamimidothioate hydrobromide Traditional Name: 2-[2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)ethyl]isothiourea hydrobromide Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCSC(=N)N)C3=CC=CC=C3.Br

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCSC(=N)N)C3=CC=CC=C3.Br

InChI

InChI=1S/C18H18N4O2S.BrH/c19-16(20)25-12-11-22-15(23)18(21-17(22)24,13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10H,11-12H2,(H3,19,20)(H,21,24);1H