N-(2-cyanophenyl)-2-[3-(1-oxidanylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[3-(1-oxidanylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-[3-[1-(hydroxymethyl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[[3-(1-hydroxybutan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[3-(1-hydroxybutan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[[4-keto-3-(1-methylolpropyl)quinazolin-2-yl]thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O3S/c1-2-15(12-26)25-20(28)16-8-4-6-10-18(16)24-21(25)29-13-19(27)23-17-9-5-3-7-14(17)11-22/h3-10,15,26H,2,12-13H2,1H3,(H,23,27)