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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-5-iodanyl-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-iodo-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-bromo-4-hydroxy-5-iodo-benzylidene)thiazolidine-2,4-quinone Formula: C18H18BrIN2O4S MolecularWeight: 565.21999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)O)Br)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)O)Br)SC2=O

InChI

InChI=1S/C18H18BrIN2O4S/c19-12-7-11(8-13(20)16(12)24)9-14-17(25)22(18(26)27-14)10-15(23)21-5-3-1-2-4-6-21/h7-9,24H,1-6,10H2