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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

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