5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxo-3-quinolyl]methylene]-3-(3-phenylpropyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-3-(3-phenylpropyl)-2-thioxo-thiazolidin-4-one Formula: C29H31N3O2S2 MolecularWeight: 517.70534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCCC4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCCC4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C29H31N3O2S2/c1-30-24-16-8-7-15-22(24)26(31-17-9-2-3-10-18-31)23(27(30)33)20-25-28(34)32(29(35)36-25)19-11-14-21-12-5-4-6-13-21/h4-8,12-13,15-16,20H,2-3,9-11,14,17-19H2,1H3