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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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