[1,4,8-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl carbamimidothioate hydrobromide

Systemtic Name: [1,4,8-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[(1,4,8-trimethoxy-9,10-dioxo-2-anthryl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (1,4,8-trimethoxy-9,10-dioxo-2-anthracenyl)methyl ester hydrobromide IUPAC Name: (1,4,8-trimethoxy-9,10-dioxoanthracen-2-yl)methyl carbamimidothioate hydrobromide Traditional Name: 2-[(9,10-diketo-1,4,8-trimethoxy-2-anthryl)methyl]isothiourea hydrobromide Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C(=CC(=C3C2=O)OC)CSC(=N)N)OC.Br

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C(=CC(=C3C2=O)OC)CSC(=N)N)OC.Br

InChI

InChI=1S/C19H18N2O5S.BrH/c1-24-11-6-4-5-10-13(11)17(23)15-14(16(10)22)12(25-2)7-9(18(15)26-3)8-27-19(20)21;/h4-7H,8H2,1-3H3,(H3,20,21);1H