4-[2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetyl]amino]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-13(11-29-2)25-20(28)16-5-3-4-6-17(16)24-21(25)30-12-18(26)23-15-9-7-14(8-10-15)19(22)27/h3-10,13H,11-12H2,1-2H3,(H2,22,27)(H,23,26)