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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-(1-phenylethyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-(1-phenylethyl)-2-thioxo-thiazolidin-4-one Formula: C29H31N3O2S2 MolecularWeight: 517.70534

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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(C)C4=CC=CC=C4)N5CCCCCC5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)N5CCCCCC5

InChI

InChI=1S/C29H31N3O2S2/c1-3-31-24-16-10-9-15-22(24)26(30-17-11-4-5-12-18-30)23(27(31)33)19-25-28(34)32(29(35)36-25)20(2)21-13-7-6-8-14-21/h6-10,13-16,19-20H,3-5,11-12,17-18H2,1-2H3