3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-iodophenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-iodophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-iodobenzylidene)thiazolidine-2,4-quinone Formula: C18H19IN2O3S MolecularWeight: 470.32453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19IN2O3S/c19-14-7-5-13(6-8-14)11-15-17(23)21(18(24)25-15)12-16(22)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10,12H2