ethyl 4-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H23N3O4S/c1-3-13-25-20(27)17-7-5-6-8-18(17)24-22(25)30-14-19(26)23-16-11-9-15(10-12-16)21(28)29-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)