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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(1-prop-2-ynylindol-3-yl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(1-prop-2-ynyl-3-indolyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[(1-propargylindol-3-yl)methylene]thiazolidine-2,4-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H23N3O3S/c1-2-11-25-15-17(18-9-5-6-10-19(18)25)14-20-22(28)26(23(29)30-20)16-21(27)24-12-7-3-4-8-13-24/h1,5-6,9-10,14-15H,3-4,7-8,11-13,16H2