5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]amino]isophthalamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N)C)C

InChI

InChI=1S/C22H22N4O3S/c1-11-4-13(3)20-17(5-11)12(2)6-19(26-20)30-10-18(27)25-16-8-14(21(23)28)7-15(9-16)22(24)29/h4-9H,10H2,1-3H3,(H2,23,28)(H2,24,29)(H,25,27)