N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H24N4O2S/c1-4-26-22(29)19-8-5-6-9-20(19)25-23(26)30-15-21(28)27(11-7-10-24)18-13-16(2)12-17(3)14-18/h5-6,8-9,12-14H,4,7,11,15H2,1-3H3