5-[[4-(azepan-1-yl)-1-methyl-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-methyl-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-methyl-2-oxo-3-quinolyl]methylene]-3-[(4-methoxyphenyl)methyl]-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-methyl-2-oxo-3-quinolinyl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-methyl-2-oxoquinolin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-2-keto-1-methyl-3-quinolyl]methylene]-3-p-anisyl-2-thioxo-thiazolidin-4-one Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)N5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)N5CCCCCC5

InChI

InChI=1S/C28H29N3O3S2/c1-29-23-10-6-5-9-21(23)25(30-15-7-3-4-8-16-30)22(26(29)32)17-24-27(33)31(28(35)36-24)18-19-11-13-20(34-2)14-12-19/h5-6,9-14,17H,3-4,7-8,15-16,18H2,1-2H3