N-methyl-4-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

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