3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanyl-2-furyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[4-bromo-5-[(4-chlorophenyl)thio]-2-furanyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[[4-bromo-5-[(4-chlorophenyl)thio]-2-furyl]methylene]thiazolidine-2,4-quinone Formula: C22H20BrClN2O4S2 MolecularWeight: 555.8922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)SC2=O

InChI

InChI=1S/C22H20BrClN2O4S2/c23-17-11-15(30-21(17)31-16-7-5-14(24)6-8-16)12-18-20(28)26(22(29)32-18)13-19(27)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10,13H2