N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

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