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

Systemtic Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxidanylidene-quinolin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxo-3-quinolyl]methylene]-3-(3-methoxypropyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[4-(1-azepanyl)-1-ethyl-2-oxo-3-quinolinyl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-oxoquinolin-3-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[4-(azepan-1-yl)-1-ethyl-2-keto-3-quinolyl]methylene]-3-(3-methoxypropyl)-2-thioxo-thiazolidin-4-one Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCCCCC4

InChI

InChI=1S/C25H31N3O3S2/c1-3-27-20-12-7-6-11-18(20)22(26-13-8-4-5-9-14-26)19(23(27)29)17-21-24(30)28(25(32)33-21)15-10-16-31-2/h6-7,11-12,17H,3-5,8-10,13-16H2,1-2H3