methyl 4-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20BrN3O4S/c1-3-10-25-19(27)16-11-14(22)6-9-17(16)24-21(25)30-12-18(26)23-15-7-4-13(5-8-15)20(28)29-2/h4-9,11H,3,10,12H2,1-2H3,(H,23,26)