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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H22N4O4S/c1-29-12-4-11-25-20(28)16-5-2-3-6-17(16)24-21(25)30-13-18(26)23-15-9-7-14(8-10-15)19(22)27/h2-3,5-10H,4,11-13H2,1H3,(H2,22,27)(H,23,26)