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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(2-nitrophenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(2-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-nitrobenzylidene)thiazolidine-2,4-quinone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])SC2=O

InChI

InChI=1S/C18H19N3O5S/c22-16(19-9-5-1-2-6-10-19)12-20-17(23)15(27-18(20)24)11-13-7-3-4-8-14(13)21(25)26/h3-4,7-8,11H,1-2,5-6,9-10,12H2