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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[3-iodanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[3-iodo-5-methoxy-4-(3-nitrobenzyl)oxy-benzylidene]thiazolidine-2,4-quinone Formula: C26H26IN3O7S MolecularWeight: 651.47001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26IN3O7S/c1-36-21-13-18(12-20(27)24(21)37-16-17-7-6-8-19(11-17)30(34)35)14-22-25(32)29(26(33)38-22)15-23(31)28-9-4-2-3-5-10-28/h6-8,11-14H,2-5,9-10,15-16H2,1H3