N-(2-cyanoethyl)-N-methyl-2-[4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[4-oxidanylidene-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[4-oxo-3-(1-phenylethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(1-phenylethyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-16(17-9-4-3-5-10-17)26-21(28)18-11-6-7-12-19(18)24-22(26)29-15-20(27)25(2)14-8-13-23/h3-7,9-12,16H,8,14-15H2,1-2H3