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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(4-pyrrolidin-1-ylphenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-pyrrolidinobenzylidene)thiazolidine-2,4-quinone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)SC2=O

InChI

InChI=1S/C22H27N3O3S/c26-20(24-13-3-1-2-4-14-24)16-25-21(27)19(29-22(25)28)15-17-7-9-18(10-8-17)23-11-5-6-12-23/h7-10,15H,1-6,11-14,16H2