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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-methyl-3-nitro-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-methyl-3-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(4-methyl-3-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-methyl-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-methyl-3-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13-6-7-14(10-15(13)22(26)27)11-16-18(24)21(19(25)28-16)12-17(23)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9,12H2,1H3