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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-bis(iodanyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodo-phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[4-(2,4-dichlorobenzyl)oxy-3,5-diiodo-benzylidene]thiazolidine-2,4-quinone Formula: C25H22Cl2I2N2O4S MolecularWeight: 771.23312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=C(C=C(C=C4)Cl)Cl)I)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=C(C=C(C=C4)Cl)Cl)I)SC2=O

InChI

InChI=1S/C25H22Cl2I2N2O4S/c26-17-6-5-16(18(27)12-17)14-35-23-19(28)9-15(10-20(23)29)11-21-24(33)31(25(34)36-21)13-22(32)30-7-3-1-2-4-8-30/h5-6,9-12H,1-4,7-8,13-14H2