N-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]-4-methoxy-benzamide CAS Name: N-[2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-4-methoxybenzamide Traditional Name: N-[2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]-4-methoxy-benzamide 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)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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