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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-15-7-5-8-16(13-15)25-20(27)17-9-3-4-10-18(17)23-21(25)28-14-19(26)24(2)12-6-11-22/h3-5,7-10,13H,6,12,14H2,1-2H3