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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-nitro-4-phenylmethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-benzyloxy-3-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-benzoxy-3-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6S/c29-23(26-12-6-1-2-7-13-26)16-27-24(30)22(35-25(27)31)15-19-10-11-21(20(14-19)28(32)33)34-17-18-8-4-3-5-9-18/h3-5,8-11,14-15H,1-2,6-7,12-13,16-17H2