3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-butan-2-yloxy-5-methoxy-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-methoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-bromo-5-methoxy-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-methoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-5-methoxy-4-sec-butoxy-benzylidene)thiazolidine-2,4-quinone Formula: C23H29BrN2O5S MolecularWeight: 525.45576

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O5S/c1-4-15(2)31-21-17(24)11-16(12-18(21)30-3)13-19-22(28)26(23(29)32-19)14-20(27)25-9-7-5-6-8-10-25/h11-13,15H,4-10,14H2,1-3H3