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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S2/c1-3-5-6-13-18-30-26(32)23(34-27(30)33)19-21-24(28-16-11-7-8-12-17-28)20-14-9-10-15-22(20)29(4-2)25(21)31/h9-10,14-15,19H,3-8,11-13,16-18H2,1-2H3