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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(5-phenylsulfanyl-2-furyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[5-(phenylthio)-2-furanyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[[5-(phenylthio)-2-furyl]methylene]thiazolidine-2,4-quinone Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S2/c25-19(23-12-6-1-2-7-13-23)15-24-21(26)18(30-22(24)27)14-16-10-11-20(28-16)29-17-8-4-3-5-9-17/h3-5,8-11,14H,1-2,6-7,12-13,15H2