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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)C)N4CCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)C)N4CCCCCC4

InChI

InChI=1S/C22H25N3O2S2/c1-3-25-17-11-7-6-10-15(17)19(24-12-8-4-5-9-13-24)16(20(25)26)14-18-21(27)23(2)22(28)29-18/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3