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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[1-(4-chlorophenyl)-2-pyrrolyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylene]thiazolidine-2,4-quinone Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)SC2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)Cl)SC2=O

InChI

InChI=1S/C22H22ClN3O3S/c23-16-7-9-17(10-8-16)25-13-5-6-18(25)14-19-21(28)26(22(29)30-19)15-20(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12,15H2