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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxo-3-quinolyl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-cyclohexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one Formula: C26H31N3O2S2 MolecularWeight: 481.67324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)C4CCCCC4)N5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)C4CCCCC4)N5CCCCCC5

InChI

InChI=1S/C26H31N3O2S2/c1-27-21-14-8-7-13-19(21)23(28-15-9-2-3-10-16-28)20(24(27)30)17-22-25(31)29(26(32)33-22)18-11-5-4-6-12-18/h7-8,13-14,17-18H,2-6,9-12,15-16H2,1H3