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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

Isomeric SMILES

CC(C)CCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

InChI

InChI=1S/C25H31N3O2S2/c1-17(2)12-15-28-24(30)21(32-25(28)31)16-19-22(27-13-8-4-5-9-14-27)18-10-6-7-11-20(18)26(3)23(19)29/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3