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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxo-3-quinolyl]methylene]-3-(p-tolylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-3-(4-methylbenzyl)-2-thioxo-thiazolidin-4-one Formula: C28H29N3O2S2 MolecularWeight: 503.67876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(C4=CC=CC=C4N(C3=O)C)N5CCCCCC5)SC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(C4=CC=CC=C4N(C3=O)C)N5CCCCCC5)SC2=S

InChI

InChI=1S/C28H29N3O2S2/c1-19-11-13-20(14-12-19)18-31-27(33)24(35-28(31)34)17-22-25(30-15-7-3-4-8-16-30)21-9-5-6-10-23(21)29(2)26(22)32/h5-6,9-14,17H,3-4,7-8,15-16,18H2,1-2H3