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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxo-3-quinolyl]methylene]-3-pentyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-pentyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-amyl-5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

Isomeric SMILES

CCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

InChI

InChI=1S/C25H31N3O2S2/c1-3-4-9-16-28-24(30)21(32-25(28)31)17-19-22(27-14-10-5-6-11-15-27)18-12-7-8-13-20(18)26(2)23(19)29/h7-8,12-13,17H,3-6,9-11,14-16H2,1-2H3