N-(cyanomethyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-28-14-13-25-20(27)17-9-5-6-10-18(17)23-21(25)29-15-19(26)24(12-11-22)16-7-3-2-4-8-16/h2-10H,12-15H2,1H3