N-(2-cyanoethyl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC#N

InChI

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