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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

InChI

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