N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O3S/c1-33-23-15-8-7-14-22(23)29(17-9-16-27)24(31)18-34-26-28-21-13-6-5-12-20(21)25(32)30(26)19-10-3-2-4-11-19/h2-8,10-15H,9,17-18H2,1H3