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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-methoxy-3-phenylmethoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-benzyloxy-4-methoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-benzoxy-4-methoxy-benzylidene)thiazolidine-2,4-quinone Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-32-21-12-11-20(15-22(21)33-18-19-9-5-4-6-10-19)16-23-25(30)28(26(31)34-23)17-24(29)27-13-7-2-3-8-14-27/h4-6,9-12,15-16H,2-3,7-8,13-14,17-18H2,1H3