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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-iodanyl-4-prop-2-enoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-allyloxy-3-iodo-phenyl)methylene]-3-[2-(azepan-1-yl)-2-oxo-ethyl]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-iodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-allyloxy-3-iodo-benzylidene)-3-[2-(azepan-1-yl)-2-keto-ethyl]thiazolidine-2,4-quinone Formula: C21H23IN2O4S MolecularWeight: 526.38779

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)I

InChI

InChI=1S/C21H23IN2O4S/c1-2-11-28-17-8-7-15(12-16(17)22)13-18-20(26)24(21(27)29-18)14-19(25)23-9-5-3-4-6-10-23/h2,7-8,12-13H,1,3-6,9-11,14H2