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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-[(4-methoxyphenyl)methyl]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-p-anisyl-2-thioxo-thiazolidin-4-one Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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)CC4=CC=C(C=C4)OC)N5CCCCCC5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)N5CCCCCC5

InChI

InChI=1S/C29H31N3O3S2/c1-3-31-24-11-7-6-10-22(24)26(30-16-8-4-5-9-17-30)23(27(31)33)18-25-28(34)32(29(36)37-25)19-20-12-14-21(35-2)15-13-20/h6-7,10-15,18H,3-5,8-9,16-17,19H2,1-2H3