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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-5-ethoxy-4-sec-butoxy-benzylidene)thiazolidine-2,4-quinone Formula: C24H31BrN2O5S MolecularWeight: 539.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C24H31BrN2O5S/c1-4-16(3)32-22-18(25)12-17(13-19(22)31-5-2)14-20-23(29)27(24(30)33-20)15-21(28)26-10-8-6-7-9-11-26/h12-14,16H,4-11,15H2,1-3H3