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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one Formula: C26H31N3O3S2 MolecularWeight: 497.67264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCCCCC5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCCCCC5

InChI

InChI=1S/C26H31N3O3S2/c1-2-28-21-12-6-5-11-19(21)23(27-13-7-3-4-8-14-27)20(24(28)30)16-22-25(31)29(26(33)34-22)17-18-10-9-15-32-18/h5-6,11-12,16,18H,2-4,7-10,13-15,17H2,1H3