5-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]isophthalamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N

InChI

InChI=1S/C21H21N5O4S/c1-11(2)26-20(30)15-5-3-4-6-16(15)25-21(26)31-10-17(27)24-14-8-12(18(22)28)7-13(9-14)19(23)29/h3-9,11H,10H2,1-2H3,(H2,22,28)(H2,23,29)(H,24,27)