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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3,5-bis(iodanyl)-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[3,5-diiodo-4-(4-nitrobenzyl)oxy-benzylidene]thiazolidine-2,4-quinone Formula: C25H23I2N3O6S MolecularWeight: 747.34056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=C(C=C4)[N+](=O)[O-])I)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=C(C=C4)[N+](=O)[O-])I)SC2=O

InChI

InChI=1S/C25H23I2N3O6S/c26-19-11-17(12-20(27)23(19)36-15-16-5-7-18(8-6-16)30(34)35)13-21-24(32)29(25(33)37-21)14-22(31)28-9-3-1-2-4-10-28/h5-8,11-13H,1-4,9-10,14-15H2