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

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

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=CC=C4)N5CCCCCC5

Isomeric SMILES

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

InChI

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