3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-iodo-4-isopropoxy-5-methoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-iodo-4-isopropoxy-5-methoxy-benzylidene)thiazolidine-2,4-quinone Formula: C22H27IN2O5S MolecularWeight: 558.42965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1I)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1I)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H27IN2O5S/c1-14(2)30-20-16(23)10-15(11-17(20)29-3)12-18-21(27)25(22(28)31-18)13-19(26)24-8-6-4-5-7-9-24/h10-12,14H,4-9,13H2,1-3H3