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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(2-methoxy-4-piperidin-1-yl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[[2-methoxy-4-(1-piperidyl)phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[[2-methoxy-4-(1-piperidinyl)phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-methoxy-4-piperidino-benzylidene)thiazolidine-2,4-quinone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCCC2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCCC2)C=C3C(=O)N(C(=O)S3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-20-16-19(25-11-7-4-8-12-25)10-9-18(20)15-21-23(29)27(24(30)32-21)17-22(28)26-13-5-2-3-6-14-26/h9-10,15-16H,2-8,11-14,17H2,1H3