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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CCC#N

InChI

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