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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-benzyloxy-3-bromo-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-benzoxy-3-bromo-benzylidene)thiazolidine-2,4-quinone Formula: C25H25BrN2O4S MolecularWeight: 529.446

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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)Br)SC2=O

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O4S/c26-20-14-19(10-11-21(20)32-17-18-8-4-3-5-9-18)15-22-24(30)28(25(31)33-22)16-23(29)27-12-6-1-2-7-13-27/h3-5,8-11,14-15H,1-2,6-7,12-13,16-17H2