N-(2-cyanoethyl)-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CCC#N

InChI

InChI=1S/C22H22N4O3S/c1-15-9-10-19(29-3)18(13-15)26-21(28)16-7-4-5-8-17(16)24-22(26)30-14-20(27)25(2)12-6-11-23/h4-5,7-10,13H,6,12,14H2,1-3H3