3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-4-hydroxy-5-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C18H18BrN3O6S/c19-12-7-11(8-13(16(12)24)22(27)28)9-14-17(25)21(18(26)29-14)10-15(23)20-5-3-1-2-4-6-20/h7-9,24H,1-6,10H2