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

Systemtic Name: 3-(3-methylbutyl)-5-[(1-methyl-2-oxidanylidene-4-piperidin-1-yl-quinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-isopentyl-5-[[1-methyl-2-oxo-4-(1-piperidyl)-3-quinolyl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-(3-methylbutyl)-5-[[1-methyl-2-oxo-4-(1-piperidinyl)-3-quinolinyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-(3-methylbutyl)-5-[(1-methyl-2-oxo-4-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-isoamyl-5-[(2-keto-1-methyl-4-piperidino-3-quinolyl)methylene]-2-thioxo-thiazolidin-4-one Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCC4)SC1=S

Isomeric SMILES

CC(C)CCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCC4)SC1=S

InChI

InChI=1S/C24H29N3O2S2/c1-16(2)11-14-27-23(29)20(31-24(27)30)15-18-21(26-12-7-4-8-13-26)17-9-5-6-10-19(17)25(3)22(18)28/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3