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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxo-3-quinolyl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C26H33N3O2S2 MolecularWeight: 483.68912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=C(C3=CC=CC=C3N(C2=O)C)N4CCCCCC4)SC1=S

InChI

InChI=1S/C26H33N3O2S2/c1-3-4-5-12-17-29-25(31)22(33-26(29)32)18-20-23(28-15-10-6-7-11-16-28)19-13-8-9-14-21(19)27(2)24(20)30/h8-9,13-14,18H,3-7,10-12,15-17H2,1-2H3