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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(C4=CC=CC=C4N(C3=O)C)N5CCCCCC5)SC2=S

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C(=CC3=C(C4=CC=CC=C4N(C3=O)C)N5CCCCCC5)SC2=S

InChI

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