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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-bromanyl-5-methoxy-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-5-methoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-benzoxy-3-bromo-5-methoxy-benzylidene)thiazolidine-2,4-quinone Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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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)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O5S/c1-33-21-14-19(13-20(27)24(21)34-17-18-9-5-4-6-10-18)15-22-25(31)29(26(32)35-22)16-23(30)28-11-7-2-3-8-12-28/h4-6,9-10,13-15H,2-3,7-8,11-12,16-17H2,1H3