4-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

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