3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[5-(2-methyl-4-nitro-phenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[5-(2-methyl-4-nitro-phenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[5-(2-methyl-4-nitro-phenyl)-2-furyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[5-(2-methyl-4-nitrophenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[[5-(2-methyl-4-nitro-phenyl)-2-furyl]methylene]thiazolidine-2,4-quinone Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H23N3O6S/c1-15-12-16(26(30)31)6-8-18(15)19-9-7-17(32-19)13-20-22(28)25(23(29)33-20)14-21(27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3