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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(2-prop-2-ynoxy-1-naphthyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(2-prop-2-ynoxy-1-naphthalenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[(2-propargyloxy-1-naphthyl)methylene]thiazolidine-2,4-quinone Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

C#CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H24N2O4S/c1-2-15-31-21-12-11-18-9-5-6-10-19(18)20(21)16-22-24(29)27(25(30)32-22)17-23(28)26-13-7-3-4-8-14-26/h1,5-6,9-12,16H,3-4,7-8,13-15,17H2