5-[(4-bromophenyl)methylidene]-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[(4-bromophenyl)methylidene]-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-bromophenyl)methylene]-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 5-[(4-bromophenyl)methylidene]-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thiazolidine-2,4-dione IUPAC Name: 5-[(4-bromophenyl)methylidene]-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-bromobenzylidene)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiazolidine-2,4-quinone Formula: C17H19BrN3O3S+ MolecularWeight: 425.32006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=O

InChI

InChI=1S/C17H18BrN3O3S/c1-19-6-8-20(9-7-19)15(22)11-21-16(23)14(25-17(21)24)10-12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3/p+1